1258 lines
91 KiB
Text
1258 lines
91 KiB
Text
<!DOCTYPE html>
|
||
<html lang="en" dir="ltr" prefix="content: http://purl.org/rss/1.0/modules/content/ dc: http://purl.org/dc/terms/ foaf: http://xmlns.com/foaf/0.1/ og: http://ogp.me/ns# rdfs: http://www.w3.org/2000/01/rdf-schema# schema: http://schema.org/ sioc: http://rdfs.org/sioc/ns# sioct: http://rdfs.org/sioc/types# skos: http://www.w3.org/2004/02/skos/core# xsd: http://www.w3.org/2001/XMLSchema# ">
|
||
<head>
|
||
<meta charset="utf-8" /><script type="text/javascript">(window.NREUM||(NREUM={})).init={ajax:{deny_list:["bam.nr-data.net"]}};(window.NREUM||(NREUM={})).loader_config={licenseKey:"37b7ccb661",applicationID:"1089704227"};;/*! For license information please see nr-loader-rum-1.283.2.min.js.LICENSE.txt */
|
||
(()=>{var e,t,r={122:(e,t,r)=>{"use strict";r.d(t,{a:()=>i});var n=r(944);function i(e,t){try{if(!e||"object"!=typeof e)return(0,n.R)(3);if(!t||"object"!=typeof t)return(0,n.R)(4);const r=Object.create(Object.getPrototypeOf(t),Object.getOwnPropertyDescriptors(t)),o=0===Object.keys(r).length?e:r;for(let a in o)if(void 0!==e[a])try{if(null===e[a]){r[a]=null;continue}Array.isArray(e[a])&&Array.isArray(t[a])?r[a]=Array.from(new Set([...e[a],...t[a]])):"object"==typeof e[a]&&"object"==typeof t[a]?r[a]=i(e[a],t[a]):r[a]=e[a]}catch(e){(0,n.R)(1,e)}return r}catch(e){(0,n.R)(2,e)}}},555:(e,t,r)=>{"use strict";r.d(t,{Vp:()=>c,fn:()=>s,x1:()=>u});var n=r(384),i=r(122);const o={beacon:n.NT.beacon,errorBeacon:n.NT.errorBeacon,licenseKey:void 0,applicationID:void 0,sa:void 0,queueTime:void 0,applicationTime:void 0,ttGuid:void 0,user:void 0,account:void 0,product:void 0,extra:void 0,jsAttributes:{},userAttributes:void 0,atts:void 0,transactionName:void 0,tNamePlain:void 0},a={};function s(e){try{const t=c(e);return!!t.licenseKey&&!!t.errorBeacon&&!!t.applicationID}catch(e){return!1}}function c(e){if(!e)throw new Error("All info objects require an agent identifier!");if(!a[e])throw new Error("Info for ".concat(e," was never set"));return a[e]}function u(e,t){if(!e)throw new Error("All info objects require an agent identifier!");a[e]=(0,i.a)(t,o);const r=(0,n.nY)(e);r&&(r.info=a[e])}},217:(e,t,r)=>{"use strict";r.d(t,{D0:()=>m,gD:()=>v,xN:()=>h});r(860).K7.genericEvents;const n="experimental.marks",i="experimental.measures",o="experimental.resources",a=e=>{if(!e||"string"!=typeof e)return!1;try{document.createDocumentFragment().querySelector(e)}catch{return!1}return!0};var s=r(614),c=r(944),u=r(384),l=r(122);const d="[data-nr-mask]",f=()=>{const e={feature_flags:[],experimental:{marks:!1,measures:!1,resources:!1},mask_selector:"*",block_selector:"[data-nr-block]",mask_input_options:{color:!1,date:!1,"datetime-local":!1,email:!1,month:!1,number:!1,range:!1,search:!1,tel:!1,text:!1,time:!1,url:!1,week:!1,textarea:!1,select:!1,password:!0}};return{ajax:{deny_list:void 0,block_internal:!0,enabled:!0,autoStart:!0},distributed_tracing:{enabled:void 0,exclude_newrelic_header:void 0,cors_use_newrelic_header:void 0,cors_use_tracecontext_headers:void 0,allowed_origins:void 0},get feature_flags(){return e.feature_flags},set feature_flags(t){e.feature_flags=t},generic_events:{enabled:!0,autoStart:!0},harvest:{interval:30},jserrors:{enabled:!0,autoStart:!0},logging:{enabled:!0,autoStart:!0},metrics:{enabled:!0,autoStart:!0},obfuscate:void 0,page_action:{enabled:!0},page_view_event:{enabled:!0,autoStart:!0},page_view_timing:{enabled:!0,autoStart:!0},performance:{get capture_marks(){return e.feature_flags.includes(n)||e.experimental.marks},set capture_marks(t){e.experimental.marks=t},get capture_measures(){return e.feature_flags.includes(i)||e.experimental.measures},set capture_measures(t){e.experimental.measures=t},capture_detail:!0,resources:{get enabled(){return e.feature_flags.includes(o)||e.experimental.resources},set enabled(t){e.experimental.resources=t},asset_types:[],first_party_domains:[],ignore_newrelic:!0}},privacy:{cookies_enabled:!0},proxy:{assets:void 0,beacon:void 0},session:{expiresMs:s.wk,inactiveMs:s.BB},session_replay:{autoStart:!0,enabled:!1,preload:!1,sampling_rate:10,error_sampling_rate:100,collect_fonts:!1,inline_images:!1,fix_stylesheets:!0,mask_all_inputs:!0,get mask_text_selector(){return e.mask_selector},set mask_text_selector(t){a(t)?e.mask_selector="".concat(t,",").concat(d):""===t||null===t?e.mask_selector=d:(0,c.R)(5,t)},get block_class(){return"nr-block"},get ignore_class(){return"nr-ignore"},get mask_text_class(){return"nr-mask"},get block_selector(){return e.block_selector},set block_selector(t){a(t)?e.block_selector+=",".concat(t):""!==t&&(0,c.R)(6,t)},get mask_input_options(){return e.mask_input_options},set mask_input_options(t){t&&"object"==typeof t?e.mask_input_options={...t,password:!0}:(0,c.R)(7,t)}},session_trace:{enabled:!0,autoStart:!0},soft_navigations:{enabled:!0,autoStart:!0},spa:{enabled:!0,autoStart:!0},ssl:void 0,user_actions:{enabled:!0,elementAttributes:["id","className","tagName","type"]}}},g={},p="All configuration objects require an agent identifier!";function m(e){if(!e)throw new Error(p);if(!g[e])throw new Error("Configuration for ".concat(e," was never set"));return g[e]}function h(e,t){if(!e)throw new Error(p);g[e]=(0,l.a)(t,f());const r=(0,u.nY)(e);r&&(r.init=g[e])}function v(e,t){if(!e)throw new Error(p);var r=m(e);if(r){for(var n=t.split("."),i=0;i<n.length-1;i++)if("object"!=typeof(r=r[n[i]]))return;r=r[n[n.length-1]]}return r}},371:(e,t,r)=>{"use strict";r.d(t,{V:()=>f,f:()=>d});var n=r(122),i=r(384),o=r(154),a=r(324);let s=0;const c={buildEnv:a.F3,distMethod:a.Xs,version:a.xv,originTime:o.WN},u={customTransaction:void 0,disabled:!1,isolatedBacklog:!1,loaderType:void 0,maxBytes:3e4,onerror:void 0,ptid:void 0,releaseIds:{},appMetadata:{},session:void 0,denyList:void 0,timeKeeper:void 0,obfuscator:void 0,harvester:void 0},l={};function d(e){if(!e)throw new Error("All runtime objects require an agent identifier!");if(!l[e])throw new Error("Runtime for ".concat(e," was never set"));return l[e]}function f(e,t){if(!e)throw new Error("All runtime objects require an agent identifier!");l[e]={...(0,n.a)(t,u),...c},Object.hasOwnProperty.call(l[e],"harvestCount")||Object.defineProperty(l[e],"harvestCount",{get:()=>++s});const r=(0,i.nY)(e);r&&(r.runtime=l[e])}},324:(e,t,r)=>{"use strict";r.d(t,{F3:()=>i,Xs:()=>o,xv:()=>n});const n="1.283.2",i="PROD",o="CDN"},154:(e,t,r)=>{"use strict";r.d(t,{OF:()=>c,RI:()=>i,WN:()=>l,bv:()=>o,gm:()=>a,mw:()=>s,sb:()=>u});var n=r(863);const i="undefined"!=typeof window&&!!window.document,o="undefined"!=typeof WorkerGlobalScope&&("undefined"!=typeof self&&self instanceof WorkerGlobalScope&&self.navigator instanceof WorkerNavigator||"undefined"!=typeof globalThis&&globalThis instanceof WorkerGlobalScope&&globalThis.navigator instanceof WorkerNavigator),a=i?window:"undefined"!=typeof WorkerGlobalScope&&("undefined"!=typeof self&&self instanceof WorkerGlobalScope&&self||"undefined"!=typeof globalThis&&globalThis instanceof WorkerGlobalScope&&globalThis),s=Boolean("hidden"===a?.document?.visibilityState),c=/iPad|iPhone|iPod/.test(a.navigator?.userAgent),u=c&&"undefined"==typeof SharedWorker,l=((()=>{const e=a.navigator?.userAgent?.match(/Firefox[/\s](\d+\.\d+)/);Array.isArray(e)&&e.length>=2&&e[1]})(),Date.now()-(0,n.t)())},687:(e,t,r)=>{"use strict";r.d(t,{Ak:()=>c,Ze:()=>d,x3:()=>u});var n=r(836),i=r(606),o=r(860),a=r(646);const s={};function c(e,t){const r={staged:!1,priority:o.P3[t]||0};l(e),s[e].get(t)||s[e].set(t,r)}function u(e,t){e&&s[e]&&(s[e].get(t)&&s[e].delete(t),g(e,t,!1),s[e].size&&f(e))}function l(e){if(!e)throw new Error("agentIdentifier required");s[e]||(s[e]=new Map)}function d(e="",t="feature",r=!1){if(l(e),!e||!s[e].get(t)||r)return g(e,t);s[e].get(t).staged=!0,f(e)}function f(e){const t=Array.from(s[e]);t.every((([e,t])=>t.staged))&&(t.sort(((e,t)=>e[1].priority-t[1].priority)),t.forEach((([t])=>{s[e].delete(t),g(e,t)})))}function g(e,t,r=!0){const o=e?n.ee.get(e):n.ee,s=i.i.handlers;if(!o.aborted&&o.backlog&&s){if(r){const e=o.backlog[t],r=s[t];if(r){for(let t=0;e&&t<e.length;++t)p(e[t],r);Object.entries(r).forEach((([e,t])=>{Object.values(t||{}).forEach((t=>{t[0]?.on&&t[0]?.context()instanceof a.y&&t[0].on(e,t[1])}))}))}}o.isolatedBacklog||delete s[t],o.backlog[t]=null,o.emit("drain-"+t,[])}}function p(e,t){var r=e[1];Object.values(t[r]||{}).forEach((t=>{var r=e[0];if(t[0]===r){var n=t[1],i=e[3],o=e[2];n.apply(i,o)}}))}},836:(e,t,r)=>{"use strict";r.d(t,{P:()=>c,ee:()=>u});var n=r(384),i=r(990),o=r(371),a=r(646),s=r(607);const c="nr@context:".concat(s.W),u=function e(t,r){var n={},s={},l={},d=!1;try{d=16===r.length&&(0,o.f)(r).isolatedBacklog}catch(e){}var f={on:p,addEventListener:p,removeEventListener:function(e,t){var r=n[e];if(!r)return;for(var i=0;i<r.length;i++)r[i]===t&&r.splice(i,1)},emit:function(e,r,n,i,o){!1!==o&&(o=!0);if(u.aborted&&!i)return;t&&o&&t.emit(e,r,n);for(var a=g(n),c=m(e),l=c.length,d=0;d<l;d++)c[d].apply(a,r);var p=v()[s[e]];p&&p.push([f,e,r,a]);return a},get:h,listeners:m,context:g,buffer:function(e,t){const r=v();if(t=t||"feature",f.aborted)return;Object.entries(e||{}).forEach((([e,n])=>{s[n]=t,t in r||(r[t]=[])}))},abort:function(){f._aborted=!0,Object.keys(f.backlog).forEach((e=>{delete f.backlog[e]}))},isBuffering:function(e){return!!v()[s[e]]},debugId:r,backlog:d?{}:t&&"object"==typeof t.backlog?t.backlog:{},isolatedBacklog:d};return Object.defineProperty(f,"aborted",{get:()=>{let e=f._aborted||!1;return e||(t&&(e=t.aborted),e)}}),f;function g(e){return e&&e instanceof a.y?e:e?(0,i.I)(e,c,(()=>new a.y(c))):new a.y(c)}function p(e,t){n[e]=m(e).concat(t)}function m(e){return n[e]||[]}function h(t){return l[t]=l[t]||e(f,t)}function v(){return f.backlog}}(void 0,"globalEE"),l=(0,n.Zm)();l.ee||(l.ee=u)},646:(e,t,r)=>{"use strict";r.d(t,{y:()=>n});class n{constructor(e){this.contextId=e}}},908:(e,t,r)=>{"use strict";r.d(t,{d:()=>n,p:()=>i});var n=r(836).ee.get("handle");function i(e,t,r,i,o){o?(o.buffer([e],i),o.emit(e,t,r)):(n.buffer([e],i),n.emit(e,t,r))}},606:(e,t,r)=>{"use strict";r.d(t,{i:()=>o});var n=r(908);o.on=a;var i=o.handlers={};function o(e,t,r,o){a(o||n.d,i,e,t,r)}function a(e,t,r,i,o){o||(o="feature"),e||(e=n.d);var a=t[o]=t[o]||{};(a[r]=a[r]||[]).push([e,i])}},878:(e,t,r)=>{"use strict";function n(e,t){return{capture:e,passive:!1,signal:t}}function i(e,t,r=!1,i){window.addEventListener(e,t,n(r,i))}function o(e,t,r=!1,i){document.addEventListener(e,t,n(r,i))}r.d(t,{DD:()=>o,jT:()=>n,sp:()=>i})},607:(e,t,r)=>{"use strict";r.d(t,{W:()=>n});const n=(0,r(566).bz)()},566:(e,t,r)=>{"use strict";r.d(t,{LA:()=>s,bz:()=>a});var n=r(154);const i="xxxxxxxx-xxxx-4xxx-yxxx-xxxxxxxxxxxx";function o(e,t){return e?15&e[t]:16*Math.random()|0}function a(){const e=n.gm?.crypto||n.gm?.msCrypto;let t,r=0;return e&&e.getRandomValues&&(t=e.getRandomValues(new Uint8Array(30))),i.split("").map((e=>"x"===e?o(t,r++).toString(16):"y"===e?(3&o()|8).toString(16):e)).join("")}function s(e){const t=n.gm?.crypto||n.gm?.msCrypto;let r,i=0;t&&t.getRandomValues&&(r=t.getRandomValues(new Uint8Array(e)));const a=[];for(var s=0;s<e;s++)a.push(o(r,i++).toString(16));return a.join("")}},614:(e,t,r)=>{"use strict";r.d(t,{BB:()=>a,H3:()=>n,g:()=>u,iL:()=>c,tS:()=>s,uh:()=>i,wk:()=>o});const n="NRBA",i="SESSION",o=144e5,a=18e5,s={STARTED:"session-started",PAUSE:"session-pause",RESET:"session-reset",RESUME:"session-resume",UPDATE:"session-update"},c={SAME_TAB:"same-tab",CROSS_TAB:"cross-tab"},u={OFF:0,FULL:1,ERROR:2}},863:(e,t,r)=>{"use strict";function n(){return Math.floor(performance.now())}r.d(t,{t:()=>n})},944:(e,t,r)=>{"use strict";function n(e,t){"function"==typeof console.debug&&console.debug("New Relic Warning: https://github.com/newrelic/newrelic-browser-agent/blob/main/docs/warning-codes.md#".concat(e),t)}r.d(t,{R:()=>n})},284:(e,t,r)=>{"use strict";r.d(t,{t:()=>c,B:()=>s});var n=r(836),i=r(154);const o="newrelic";const a=new Set,s={};function c(e,t){const r=n.ee.get(t);s[t]??={},e&&"object"==typeof e&&(a.has(t)||(r.emit("rumresp",[e]),s[t]=e,a.add(t),function(e={}){try{i.gm.dispatchEvent(new CustomEvent(o,{detail:e}))}catch(e){}}({loaded:!0})))}},990:(e,t,r)=>{"use strict";r.d(t,{I:()=>i});var n=Object.prototype.hasOwnProperty;function i(e,t,r){if(n.call(e,t))return e[t];var i=r();if(Object.defineProperty&&Object.keys)try{return Object.defineProperty(e,t,{value:i,writable:!0,enumerable:!1}),i}catch(e){}return e[t]=i,i}},389:(e,t,r)=>{"use strict";function n(e,t=500,r={}){const n=r?.leading||!1;let i;return(...r)=>{n&&void 0===i&&(e.apply(this,r),i=setTimeout((()=>{i=clearTimeout(i)}),t)),n||(clearTimeout(i),i=setTimeout((()=>{e.apply(this,r)}),t))}}function i(e){let t=!1;return(...r)=>{t||(t=!0,e.apply(this,r))}}r.d(t,{J:()=>i,s:()=>n})},289:(e,t,r)=>{"use strict";r.d(t,{GG:()=>o,sB:()=>a});var n=r(878);function i(){return"undefined"==typeof document||"complete"===document.readyState}function o(e,t){if(i())return e();(0,n.sp)("load",e,t)}function a(e){if(i())return e();(0,n.DD)("DOMContentLoaded",e)}},384:(e,t,r)=>{"use strict";r.d(t,{NT:()=>o,US:()=>l,Zm:()=>a,bQ:()=>c,dV:()=>s,nY:()=>u,pV:()=>d});var n=r(154),i=r(863);const o={beacon:"bam.nr-data.net",errorBeacon:"bam.nr-data.net"};function a(){return n.gm.NREUM||(n.gm.NREUM={}),void 0===n.gm.newrelic&&(n.gm.newrelic=n.gm.NREUM),n.gm.NREUM}function s(){let e=a();return e.o||(e.o={ST:n.gm.setTimeout,SI:n.gm.setImmediate,CT:n.gm.clearTimeout,XHR:n.gm.XMLHttpRequest,REQ:n.gm.Request,EV:n.gm.Event,PR:n.gm.Promise,MO:n.gm.MutationObserver,FETCH:n.gm.fetch,WS:n.gm.WebSocket}),e}function c(e,t){let r=a();r.initializedAgents??={},t.initializedAt={ms:(0,i.t)(),date:new Date},r.initializedAgents[e]=t}function u(e){let t=a();return t.initializedAgents?.[e]}function l(e,t){a()[e]=t}function d(){return function(){let e=a();const t=e.info||{};e.info={beacon:o.beacon,errorBeacon:o.errorBeacon,...t}}(),function(){let e=a();const t=e.init||{};e.init={...t}}(),s(),function(){let e=a();const t=e.loader_config||{};e.loader_config={...t}}(),a()}},843:(e,t,r)=>{"use strict";r.d(t,{u:()=>i});var n=r(878);function i(e,t=!1,r,i){(0,n.DD)("visibilitychange",(function(){if(t)return void("hidden"===document.visibilityState&&e());e(document.visibilityState)}),r,i)}},434:(e,t,r)=>{"use strict";r.d(t,{Jt:()=>o,YM:()=>c});var n=r(836),i=r(607);const o="nr@original:".concat(i.W);var a=Object.prototype.hasOwnProperty,s=!1;function c(e,t){return e||(e=n.ee),r.inPlace=function(e,t,n,i,o){n||(n="");const a="-"===n.charAt(0);for(let s=0;s<t.length;s++){const c=t[s],u=e[c];l(u)||(e[c]=r(u,a?c+n:n,i,c,o))}},r.flag=o,r;function r(t,r,n,s,c){return l(t)?t:(r||(r=""),nrWrapper[o]=t,function(e,t,r){if(Object.defineProperty&&Object.keys)try{return Object.keys(e).forEach((function(r){Object.defineProperty(t,r,{get:function(){return e[r]},set:function(t){return e[r]=t,t}})})),t}catch(e){u([e],r)}for(var n in e)a.call(e,n)&&(t[n]=e[n])}(t,nrWrapper,e),nrWrapper);function nrWrapper(){var o,a,l,d;try{a=this,o=[...arguments],l="function"==typeof n?n(o,a):n||{}}catch(t){u([t,"",[o,a,s],l],e)}i(r+"start",[o,a,s],l,c);try{return d=t.apply(a,o)}catch(e){throw i(r+"err",[o,a,e],l,c),e}finally{i(r+"end",[o,a,d],l,c)}}}function i(r,n,i,o){if(!s||t){var a=s;s=!0;try{e.emit(r,n,i,t,o)}catch(t){u([t,r,n,i],e)}s=a}}}function u(e,t){t||(t=n.ee);try{t.emit("internal-error",e)}catch(e){}}function l(e){return!(e&&"function"==typeof e&&e.apply&&!e[o])}},993:(e,t,r)=>{"use strict";r.d(t,{A$:()=>o,ET:()=>a,p_:()=>i});var n=r(860);const i={ERROR:"ERROR",WARN:"WARN",INFO:"INFO",DEBUG:"DEBUG",TRACE:"TRACE"},o={OFF:0,ERROR:1,WARN:2,INFO:3,DEBUG:4,TRACE:5},a="log";n.K7.logging},773:(e,t,r)=>{"use strict";r.d(t,{z_:()=>o,XG:()=>s,TZ:()=>n,rs:()=>i,xV:()=>a});r(154),r(566),r(384);const n=r(860).K7.metrics,i="sm",o="cm",a="storeSupportabilityMetrics",s="storeEventMetrics"},630:(e,t,r)=>{"use strict";r.d(t,{T:()=>n});const n=r(860).K7.pageViewEvent},782:(e,t,r)=>{"use strict";r.d(t,{T:()=>n});const n=r(860).K7.pageViewTiming},344:(e,t,r)=>{"use strict";r.d(t,{G4:()=>i});var n=r(614);r(860).K7.sessionReplay;const i={RECORD:"recordReplay",PAUSE:"pauseReplay",REPLAY_RUNNING:"replayRunning",ERROR_DURING_REPLAY:"errorDuringReplay"};n.g.ERROR,n.g.FULL,n.g.OFF},234:(e,t,r)=>{"use strict";r.d(t,{W:()=>o});var n=r(836),i=r(687);class o{constructor(e,t){this.agentIdentifier=e,this.ee=n.ee.get(e),this.featureName=t,this.blocked=!1}deregisterDrain(){(0,i.x3)(this.agentIdentifier,this.featureName)}}},603:(e,t,r)=>{"use strict";r.d(t,{j:()=>K});var n=r(860),i=r(555),o=r(371),a=r(908),s=r(836),c=r(687),u=r(289),l=r(154),d=r(944),f=r(773),g=r(384),p=r(344);const m=["setErrorHandler","finished","addToTrace","addRelease","recordCustomEvent","addPageAction","setCurrentRouteName","setPageViewName","setCustomAttribute","interaction","noticeError","setUserId","setApplicationVersion","start",p.G4.RECORD,p.G4.PAUSE,"log","wrapLogger"],h=["setErrorHandler","finished","addToTrace","addRelease"];var v=r(863),b=r(614),y=r(993);var w=r(646),R=r(434);const A=new Map;function E(e,t,r,n){if("object"!=typeof t||!t||"string"!=typeof r||!r||"function"!=typeof t[r])return(0,d.R)(29);const i=function(e){return(e||s.ee).get("logger")}(e),o=(0,R.YM)(i),a=new w.y(s.P);a.level=n.level,a.customAttributes=n.customAttributes;const c=t[r]?.[R.Jt]||t[r];return A.set(c,a),o.inPlace(t,[r],"wrap-logger-",(()=>A.get(c))),i}function _(){const e=(0,g.pV)();m.forEach((t=>{e[t]=(...r)=>function(t,...r){let n=[];return Object.values(e.initializedAgents).forEach((e=>{e&&e.api?e.exposed&&e.api[t]&&n.push(e.api[t](...r)):(0,d.R)(38,t)})),n.length>1?n:n[0]}(t,...r)}))}const x={};function N(e,t,g=!1){t||(0,c.Ak)(e,"api");const m={};var w=s.ee.get(e),R=w.get("tracer");x[e]=b.g.OFF,w.on(p.G4.REPLAY_RUNNING,(t=>{x[e]=t}));var A="api-",_=A+"ixn-";function N(t,r,n,o){const a=(0,i.Vp)(e);return null===r?delete a.jsAttributes[t]:(0,i.x1)(e,{...a,jsAttributes:{...a.jsAttributes,[t]:r}}),j(A,n,!0,o||null===r?"session":void 0)(t,r)}function k(){}m.log=function(e,{customAttributes:t={},level:r=y.p_.INFO}={}){(0,a.p)(f.xV,["API/log/called"],void 0,n.K7.metrics,w),function(e,t,r={},i=y.p_.INFO){(0,a.p)(f.xV,["API/logging/".concat(i.toLowerCase(),"/called")],void 0,n.K7.metrics,e),(0,a.p)(y.ET,[(0,v.t)(),t,r,i],void 0,n.K7.logging,e)}(w,e,t,r)},m.wrapLogger=(e,t,{customAttributes:r={},level:i=y.p_.INFO}={})=>{(0,a.p)(f.xV,["API/wrapLogger/called"],void 0,n.K7.metrics,w),E(w,e,t,{customAttributes:r,level:i})},h.forEach((e=>{m[e]=j(A,e,!0,"api")})),m.addPageAction=j(A,"addPageAction",!0,n.K7.genericEvents),m.recordCustomEvent=j(A,"recordCustomEvent",!0,n.K7.genericEvents),m.setPageViewName=function(t,r){if("string"==typeof t)return"/"!==t.charAt(0)&&(t="/"+t),(0,o.f)(e).customTransaction=(r||"http://custom.transaction")+t,j(A,"setPageViewName",!0)()},m.setCustomAttribute=function(e,t,r=!1){if("string"==typeof e){if(["string","number","boolean"].includes(typeof t)||null===t)return N(e,t,"setCustomAttribute",r);(0,d.R)(40,typeof t)}else(0,d.R)(39,typeof e)},m.setUserId=function(e){if("string"==typeof e||null===e)return N("enduser.id",e,"setUserId",!0);(0,d.R)(41,typeof e)},m.setApplicationVersion=function(e){if("string"==typeof e||null===e)return N("application.version",e,"setApplicationVersion",!1);(0,d.R)(42,typeof e)},m.start=()=>{try{(0,a.p)(f.xV,["API/start/called"],void 0,n.K7.metrics,w),w.emit("manual-start-all")}catch(e){(0,d.R)(23,e)}},m[p.G4.RECORD]=function(){(0,a.p)(f.xV,["API/recordReplay/called"],void 0,n.K7.metrics,w),(0,a.p)(p.G4.RECORD,[],void 0,n.K7.sessionReplay,w)},m[p.G4.PAUSE]=function(){(0,a.p)(f.xV,["API/pauseReplay/called"],void 0,n.K7.metrics,w),(0,a.p)(p.G4.PAUSE,[],void 0,n.K7.sessionReplay,w)},m.interaction=function(e){return(new k).get("object"==typeof e?e:{})};const T=k.prototype={createTracer:function(e,t){var r={},i=this,o="function"==typeof t;return(0,a.p)(f.xV,["API/createTracer/called"],void 0,n.K7.metrics,w),g||(0,a.p)(_+"tracer",[(0,v.t)(),e,r],i,n.K7.spa,w),function(){if(R.emit((o?"":"no-")+"fn-start",[(0,v.t)(),i,o],r),o)try{return t.apply(this,arguments)}catch(e){const t="string"==typeof e?new Error(e):e;throw R.emit("fn-err",[arguments,this,t],r),t}finally{R.emit("fn-end",[(0,v.t)()],r)}}}};function j(e,t,r,i){return function(){return(0,a.p)(f.xV,["API/"+t+"/called"],void 0,n.K7.metrics,w),i&&(0,a.p)(e+t,[r?(0,v.t)():performance.now(),...arguments],r?null:this,i,w),r?void 0:this}}function I(){r.e(296).then(r.bind(r,778)).then((({setAPI:t})=>{t(e),(0,c.Ze)(e,"api")})).catch((e=>{(0,d.R)(27,e),w.abort()}))}return["actionText","setName","setAttribute","save","ignore","onEnd","getContext","end","get"].forEach((e=>{T[e]=j(_,e,void 0,g?n.K7.softNav:n.K7.spa)})),m.setCurrentRouteName=g?j(_,"routeName",void 0,n.K7.softNav):j(A,"routeName",!0,n.K7.spa),m.noticeError=function(t,r){"string"==typeof t&&(t=new Error(t)),(0,a.p)(f.xV,["API/noticeError/called"],void 0,n.K7.metrics,w),(0,a.p)("err",[t,(0,v.t)(),!1,r,!!x[e]],void 0,n.K7.jserrors,w)},l.RI?(0,u.GG)((()=>I()),!0):I(),m}var k=r(217),T=r(122);const j={accountID:void 0,trustKey:void 0,agentID:void 0,licenseKey:void 0,applicationID:void 0,xpid:void 0},I={};var O=r(284);const S=e=>{const t=e.startsWith("http");e+="/",r.p=t?e:"https://"+e};let P=!1;function K(e,t={},r,n){let{init:a,info:c,loader_config:u,runtime:d={},exposed:f=!0}=t;d.loaderType=r;const p=(0,g.pV)();c||(a=p.init,c=p.info,u=p.loader_config),(0,k.xN)(e.agentIdentifier,a||{}),function(e,t){if(!e)throw new Error("All loader-config objects require an agent identifier!");I[e]=(0,T.a)(t,j);const r=(0,g.nY)(e);r&&(r.loader_config=I[e])}(e.agentIdentifier,u||{}),c.jsAttributes??={},l.bv&&(c.jsAttributes.isWorker=!0),(0,i.x1)(e.agentIdentifier,c);const m=(0,k.D0)(e.agentIdentifier),h=[c.beacon,c.errorBeacon];P||(m.proxy.assets&&(S(m.proxy.assets),h.push(m.proxy.assets)),m.proxy.beacon&&h.push(m.proxy.beacon),_(),(0,g.US)("activatedFeatures",O.B),e.runSoftNavOverSpa&&=!0===m.soft_navigations.enabled&&m.feature_flags.includes("soft_nav")),d.denyList=[...m.ajax.deny_list||[],...m.ajax.block_internal?h:[]],d.ptid=e.agentIdentifier,(0,o.V)(e.agentIdentifier,d),e.ee=s.ee.get(e.agentIdentifier),void 0===e.api&&(e.api=N(e.agentIdentifier,n,e.runSoftNavOverSpa)),void 0===e.exposed&&(e.exposed=f),P=!0}},374:(e,t,r)=>{r.nc=(()=>{try{return document?.currentScript?.nonce}catch(e){}return""})()},860:(e,t,r)=>{"use strict";r.d(t,{$J:()=>u,K7:()=>s,P3:()=>c,XX:()=>i,qY:()=>n,v4:()=>a});const n="events",i="jserrors",o="browser/blobs",a="rum",s={ajax:"ajax",genericEvents:"generic_events",jserrors:i,logging:"logging",metrics:"metrics",pageAction:"page_action",pageViewEvent:"page_view_event",pageViewTiming:"page_view_timing",sessionReplay:"session_replay",sessionTrace:"session_trace",softNav:"soft_navigations",spa:"spa"},c={[s.pageViewEvent]:1,[s.pageViewTiming]:2,[s.metrics]:3,[s.jserrors]:4,[s.spa]:5,[s.ajax]:6,[s.sessionTrace]:7,[s.softNav]:8,[s.sessionReplay]:9,[s.logging]:10,[s.genericEvents]:11},u={[s.pageViewEvent]:a,[s.pageViewTiming]:n,[s.ajax]:n,[s.spa]:n,[s.softNav]:n,[s.metrics]:i,[s.jserrors]:i,[s.sessionTrace]:o,[s.sessionReplay]:o,[s.logging]:"browser/logs",[s.genericEvents]:"ins"}}},n={};function i(e){var t=n[e];if(void 0!==t)return t.exports;var o=n[e]={exports:{}};return r[e](o,o.exports,i),o.exports}i.m=r,i.d=(e,t)=>{for(var r in t)i.o(t,r)&&!i.o(e,r)&&Object.defineProperty(e,r,{enumerable:!0,get:t[r]})},i.f={},i.e=e=>Promise.all(Object.keys(i.f).reduce(((t,r)=>(i.f[r](e,t),t)),[])),i.u=e=>"nr-rum-1.283.2.min.js",i.o=(e,t)=>Object.prototype.hasOwnProperty.call(e,t),e={},t="NRBA-1.283.2.PROD:",i.l=(r,n,o,a)=>{if(e[r])e[r].push(n);else{var s,c;if(void 0!==o)for(var u=document.getElementsByTagName("script"),l=0;l<u.length;l++){var d=u[l];if(d.getAttribute("src")==r||d.getAttribute("data-webpack")==t+o){s=d;break}}if(!s){c=!0;var f={296:"sha512-2Y8GMAOGF658KnXzOZ/v+DlLch8TBFvV0tTNnOy9wrpvtDa1t5CdZMyX+LubTymBlzPp6NUjllBghMCZqXBPmg=="};(s=document.createElement("script")).charset="utf-8",s.timeout=120,i.nc&&s.setAttribute("nonce",i.nc),s.setAttribute("data-webpack",t+o),s.src=r,0!==s.src.indexOf(window.location.origin+"/")&&(s.crossOrigin="anonymous"),f[a]&&(s.integrity=f[a])}e[r]=[n];var g=(t,n)=>{s.onerror=s.onload=null,clearTimeout(p);var i=e[r];if(delete e[r],s.parentNode&&s.parentNode.removeChild(s),i&&i.forEach((e=>e(n))),t)return t(n)},p=setTimeout(g.bind(null,void 0,{type:"timeout",target:s}),12e4);s.onerror=g.bind(null,s.onerror),s.onload=g.bind(null,s.onload),c&&document.head.appendChild(s)}},i.r=e=>{"undefined"!=typeof Symbol&&Symbol.toStringTag&&Object.defineProperty(e,Symbol.toStringTag,{value:"Module"}),Object.defineProperty(e,"__esModule",{value:!0})},i.p="https://js-agent.newrelic.com/",(()=>{var e={374:0,840:0};i.f.j=(t,r)=>{var n=i.o(e,t)?e[t]:void 0;if(0!==n)if(n)r.push(n[2]);else{var o=new Promise(((r,i)=>n=e[t]=[r,i]));r.push(n[2]=o);var a=i.p+i.u(t),s=new Error;i.l(a,(r=>{if(i.o(e,t)&&(0!==(n=e[t])&&(e[t]=void 0),n)){var o=r&&("load"===r.type?"missing":r.type),a=r&&r.target&&r.target.src;s.message="Loading chunk "+t+" failed.\n("+o+": "+a+")",s.name="ChunkLoadError",s.type=o,s.request=a,n[1](s)}}),"chunk-"+t,t)}};var t=(t,r)=>{var n,o,[a,s,c]=r,u=0;if(a.some((t=>0!==e[t]))){for(n in s)i.o(s,n)&&(i.m[n]=s[n]);if(c)c(i)}for(t&&t(r);u<a.length;u++)o=a[u],i.o(e,o)&&e[o]&&e[o][0](),e[o]=0},r=self["webpackChunk:NRBA-1.283.2.PROD"]=self["webpackChunk:NRBA-1.283.2.PROD"]||[];r.forEach(t.bind(null,0)),r.push=t.bind(null,r.push.bind(r))})(),(()=>{"use strict";i(374);var e=i(944),t=i(344),r=i(566);class n{agentIdentifier;constructor(){this.agentIdentifier=(0,r.LA)(16)}#e(t,...r){if("function"==typeof this.api?.[t])return this.api[t](...r);(0,e.R)(35,t)}addPageAction(e,t){return this.#e("addPageAction",e,t)}recordCustomEvent(e,t){return this.#e("recordCustomEvent",e,t)}setPageViewName(e,t){return this.#e("setPageViewName",e,t)}setCustomAttribute(e,t,r){return this.#e("setCustomAttribute",e,t,r)}noticeError(e,t){return this.#e("noticeError",e,t)}setUserId(e){return this.#e("setUserId",e)}setApplicationVersion(e){return this.#e("setApplicationVersion",e)}setErrorHandler(e){return this.#e("setErrorHandler",e)}addRelease(e,t){return this.#e("addRelease",e,t)}log(e,t){return this.#e("log",e,t)}}class o extends n{#e(t,...r){if("function"==typeof this.api?.[t])return this.api[t](...r);(0,e.R)(35,t)}start(){return this.#e("start")}finished(e){return this.#e("finished",e)}recordReplay(){return this.#e(t.G4.RECORD)}pauseReplay(){return this.#e(t.G4.PAUSE)}addToTrace(e){return this.#e("addToTrace",e)}setCurrentRouteName(e){return this.#e("setCurrentRouteName",e)}interaction(){return this.#e("interaction")}wrapLogger(e,t,r){return this.#e("wrapLogger",e,t,r)}}var a=i(860),s=i(217);const c=Object.values(a.K7);function u(e){const t={};return c.forEach((r=>{t[r]=function(e,t){return!0===(0,s.gD)(t,"".concat(e,".enabled"))}(r,e)})),t}var l=i(603);var d=i(687),f=i(234),g=i(289),p=i(154),m=i(384);const h=e=>p.RI&&!0===(0,s.gD)(e,"privacy.cookies_enabled");function v(e){return!!(0,m.dV)().o.MO&&h(e)&&!0===(0,s.gD)(e,"session_trace.enabled")}var b=i(389);class y extends f.W{constructor(e,t,r=!0){super(e.agentIdentifier,t),this.auto=r,this.abortHandler=void 0,this.featAggregate=void 0,this.onAggregateImported=void 0,!1===e.init[this.featureName].autoStart&&(this.auto=!1),this.auto?(0,d.Ak)(e.agentIdentifier,t):this.ee.on("manual-start-all",(0,b.J)((()=>{(0,d.Ak)(e.agentIdentifier,this.featureName),this.auto=!0,this.importAggregator(e)})))}importAggregator(t,r={}){if(this.featAggregate||!this.auto)return;let n;this.onAggregateImported=new Promise((e=>{n=e}));const o=async()=>{let o;try{if(h(this.agentIdentifier)){const{setupAgentSession:e}=await i.e(296).then(i.bind(i,861));o=e(t)}}catch(t){(0,e.R)(20,t),this.ee.emit("internal-error",[t]),this.featureName===a.K7.sessionReplay&&this.abortHandler?.()}try{if(!this.#t(this.featureName,o))return(0,d.Ze)(this.agentIdentifier,this.featureName),void n(!1);const{lazyFeatureLoader:e}=await i.e(296).then(i.bind(i,103)),{Aggregate:a}=await e(this.featureName,"aggregate");this.featAggregate=new a(t,r),t.runtime.harvester.initializedAggregates.push(this.featAggregate),n(!0)}catch(t){(0,e.R)(34,t),this.abortHandler?.(),(0,d.Ze)(this.agentIdentifier,this.featureName,!0),n(!1),this.ee&&this.ee.abort()}};p.RI?(0,g.GG)((()=>o()),!0):o()}#t(e,t){switch(e){case a.K7.sessionReplay:return v(this.agentIdentifier)&&!!t;case a.K7.sessionTrace:return!!t;default:return!0}}}var w=i(630);class R extends y{static featureName=w.T;constructor(e,t=!0){super(e,w.T,t),this.importAggregator(e)}}var A=i(908),E=i(843),_=i(878),x=i(782),N=i(863);class k extends y{static featureName=x.T;constructor(e,t=!0){super(e,x.T,t),p.RI&&((0,E.u)((()=>(0,A.p)("docHidden",[(0,N.t)()],void 0,x.T,this.ee)),!0),(0,_.sp)("pagehide",(()=>(0,A.p)("winPagehide",[(0,N.t)()],void 0,x.T,this.ee))),this.importAggregator(e))}}var T=i(773);class j extends y{static featureName=T.TZ;constructor(e,t=!0){super(e,T.TZ,t),this.importAggregator(e)}}new class extends o{constructor(t){super(),p.gm?(this.features={},(0,m.bQ)(this.agentIdentifier,this),this.desiredFeatures=new Set(t.features||[]),this.desiredFeatures.add(R),this.runSoftNavOverSpa=[...this.desiredFeatures].some((e=>e.featureName===a.K7.softNav)),(0,l.j)(this,t,t.loaderType||"agent"),this.run()):(0,e.R)(21)}get config(){return{info:this.info,init:this.init,loader_config:this.loader_config,runtime:this.runtime}}run(){try{const t=u(this.agentIdentifier),r=[...this.desiredFeatures];r.sort(((e,t)=>a.P3[e.featureName]-a.P3[t.featureName])),r.forEach((r=>{if(!t[r.featureName]&&r.featureName!==a.K7.pageViewEvent)return;if(this.runSoftNavOverSpa&&r.featureName===a.K7.spa)return;if(!this.runSoftNavOverSpa&&r.featureName===a.K7.softNav)return;const n=function(e){switch(e){case a.K7.ajax:return[a.K7.jserrors];case a.K7.sessionTrace:return[a.K7.ajax,a.K7.pageViewEvent];case a.K7.sessionReplay:return[a.K7.sessionTrace];case a.K7.pageViewTiming:return[a.K7.pageViewEvent];default:return[]}}(r.featureName).filter((e=>!(e in this.features)));n.length>0&&(0,e.R)(36,{targetFeature:r.featureName,missingDependencies:n}),this.features[r.featureName]=new r(this)}))}catch(t){(0,e.R)(22,t);for(const e in this.features)this.features[e].abortHandler?.();const r=(0,m.Zm)();delete r.initializedAgents[this.agentIdentifier]?.api,delete r.initializedAgents[this.agentIdentifier]?.features,delete this.sharedAggregator;return r.ee.get(this.agentIdentifier).abort(),!1}}}({features:[R,k,j],loaderType:"lite"})})()})();</script>
|
||
<noscript><style>form.antibot * :not(.antibot-message) { display: none !important; }</style>
|
||
</noscript><script async src="https://www.googletagmanager.com/gtag/js?id=G-HEQ0YF2VYL"></script>
|
||
<script>window.dataLayer = window.dataLayer || [];function gtag(){dataLayer.push(arguments)};gtag("js", new Date());gtag("set", "developer_id.dMDhkMT", true);gtag('set', {'cookie_flags': 'SameSite=None;Secure', 'cookie_domain': 'www.nist.gov'});gtag("config", "G-HEQ0YF2VYL", {"groups":"default","page_placeholder":"PLACEHOLDER_page_location","link_attribution":true,"allow_ad_personalization_signals":false});gtag("config", "G-CSLL4ZEK4L", {"groups":"default","page_placeholder":"PLACEHOLDER_page_location","link_attribution":true,"allow_ad_personalization_signals":false});gtag("event", "custom", {"node_title":"Theoretical chemistry \u0026amp; modeling","node_id":"1079126","content_type":"Topic Landing Page"});</script>
|
||
<link rel="canonical" href="https://www.nist.gov/theoretical-chemistry-modeling" />
|
||
<link rel="shortlink" href="https://www.nist.gov/node/1079126" />
|
||
<meta name="citation_title" content="Theoretical chemistry & modeling | NIST" />
|
||
<meta property="og:site_name" content="NIST" />
|
||
<meta property="og:type" content="Article" />
|
||
<meta property="og:url" content="https://www.nist.gov/theoretical-chemistry-modeling" />
|
||
<meta property="og:title" content="Theoretical chemistry & modeling" />
|
||
<meta property="og:image" content="https://www.nist.gov/themes/custom/nist_www/img/homepage/nist_mark.png" />
|
||
<meta property="article:published_time" content="2016-06-30T13:50-04:00" />
|
||
<meta property="article:modified_time" content="2019-11-15T12:52-05:00" />
|
||
<meta name="dcterms.title" content="Theoretical chemistry & modeling" />
|
||
<meta name="dcterms.date" content="2016-06-30T13:50-04:00" />
|
||
<meta name="dcterms.type" content="text" />
|
||
<meta name="dcterms.format" content="text/html" />
|
||
<meta name="dcterms.identifier" content="https://www.nist.gov/theoretical-chemistry-modeling" />
|
||
<meta name="dcterms.source" content="NIST" />
|
||
<meta name="dcterms.created" content="2016-06-30T13:50-04:00" />
|
||
<meta name="dcterms.modified" content="2019-11-15T12:52-05:00" />
|
||
<meta name="twitter:card" content="summary_large_image" />
|
||
<meta name="twitter:description" content="" />
|
||
<meta name="twitter:site" content="NIST" />
|
||
<meta name="twitter:title" content="Theoretical chemistry & modeling" />
|
||
<meta name="google-site-verification" content="QMu0ODkER3rN5hLcMLqNVf7e3bkjYsNLTuhqfH48jCA" />
|
||
<meta name="Generator" content="Drupal 10 (https://www.drupal.org)" />
|
||
<meta name="MobileOptimized" content="width" />
|
||
<meta name="HandheldFriendly" content="true" />
|
||
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
|
||
<meta name="nist_search_modified" class="elastic" content="2019-11-15T12:52:00-05:00" />
|
||
<meta name="nist_search_bundle" class="elastic" content="topic_landing_page" />
|
||
<link rel="icon" href="/themes/custom/nist_www/favicon.ico" type="image/vnd.microsoft.icon" />
|
||
|
||
<title>Theoretical chemistry & modeling | NIST</title>
|
||
<link rel="stylesheet" media="all" href="/sites/default/files/css/css_1RDv4N9cEIqHFIv20AD4SAY5aARKalSHNf49A8ZJoWU.css?delta=0&language=en&theme=nist_www&include=eJxFTosKAyEM-yHRT5Kq5SxXH1id29_P3e4QSmnShMSBP20va6px-7bkS1aZpNseMeHiCjtoNpVgAgk4RsuUTyUf6ZiWV_DSm4OLA_5755wPxnf_6U1oowLrG6oKDY4GNcrz2YweuQ7HJBGDehFOMdfWq8Rg3BGJfCtCHb_j1VFs" />
|
||
<link rel="stylesheet" media="all" href="/sites/default/files/css/css_kGS0ApDpFo-_3JI4Ijxg4RCWlTqsImK3lqH7bCv5v2U.css?delta=1&language=en&theme=nist_www&include=eJxFTosKAyEM-yHRT5Kq5SxXH1id29_P3e4QSmnShMSBP20va6px-7bkS1aZpNseMeHiCjtoNpVgAgk4RsuUTyUf6ZiWV_DSm4OLA_5755wPxnf_6U1oowLrG6oKDY4GNcrz2YweuQ7HJBGDehFOMdfWq8Rg3BGJfCtCHb_j1VFs" />
|
||
<link rel="stylesheet" media="print" href="/sites/default/files/css/css_-IXwLuTUdm8IGHxib8GX8wWKw3LjKsNWSYYskZ5fEGg.css?delta=2&language=en&theme=nist_www&include=eJxFTosKAyEM-yHRT5Kq5SxXH1id29_P3e4QSmnShMSBP20va6px-7bkS1aZpNseMeHiCjtoNpVgAgk4RsuUTyUf6ZiWV_DSm4OLA_5755wPxnf_6U1oowLrG6oKDY4GNcrz2YweuQ7HJBGDehFOMdfWq8Rg3BGJfCtCHb_j1VFs" />
|
||
<link rel="stylesheet" media="all" href="/sites/default/files/css/css_jmXeSZNqhh6ayjrVIlS8rDw3mcnQaE5dzE2ZwwPSzNA.css?delta=3&language=en&theme=nist_www&include=eJxFTosKAyEM-yHRT5Kq5SxXH1id29_P3e4QSmnShMSBP20va6px-7bkS1aZpNseMeHiCjtoNpVgAgk4RsuUTyUf6ZiWV_DSm4OLA_5755wPxnf_6U1oowLrG6oKDY4GNcrz2YweuQ7HJBGDehFOMdfWq8Rg3BGJfCtCHb_j1VFs" />
|
||
|
||
<script src="/sites/default/files/js/js_GM8kl6wk698qKTTwusj83bCoGHHtOZ1UinjY1sE_Qbk.js?scope=header&delta=0&language=en&theme=nist_www&include=eJxdjVsSwjAIRTdUZUkZ0mCCpaEm1OruTR-OTmf4gMN9eOwHZ9pmAv_b3b12UTUKOcwob-O-whl0mau5GzcWdMmiGJyVFsI5QsT9XdmIx6nok-AM1paNWaKRWq-Kx-JGDRC4om_BwnnYNBBFPcrlsEAiDFS-p1uW5U9BL1uNEMo8oVyPczfSY0ZxiTgm-wB1LWSO"></script>
|
||
|
||
</head>
|
||
<body class="node-1079126">
|
||
<a href="#main-content" class="visually-hidden focusable" data-elastic-exclude>
|
||
Skip to main content
|
||
</a>
|
||
|
||
<div class="dialog-off-canvas-main-canvas" data-off-canvas-main-canvas>
|
||
|
||
<!-- nist-index-ignore-start -->
|
||
<section data-elastic-exclude class="usa-banner" aria-label="Official government website">
|
||
<div class="usa-accordion">
|
||
<header class="usa-banner__header">
|
||
<div class="usa-banner__inner">
|
||
<div class="grid-col-auto">
|
||
<img class="usa-banner__header-flag" src="/libraries/nist-component-library/dist/img/us_flag_small.png" alt="U.S. flag">
|
||
</div>
|
||
<div class="grid-col-fill tablet:grid-col-auto">
|
||
<p class="usa-banner__header-text">An official website of the United States government</p>
|
||
<p class="usa-banner__header-action" aria-hidden="true">Here’s how you know</p>
|
||
</div>
|
||
<button class="usa-accordion__button usa-banner__button" aria-expanded="false" aria-controls="gov-banner-default">
|
||
<span class="usa-banner__button-text">Here’s how you know</span>
|
||
</button>
|
||
</div>
|
||
</header>
|
||
<div class="usa-banner__content usa-accordion__content" id="gov-banner-default">
|
||
<div class="grid-row grid-gap-lg">
|
||
<div class="usa-banner__guidance tablet:grid-col-6">
|
||
<img class="usa-banner__icon usa-media-block__img" src="/libraries/nist-component-library/dist/img/icon-dot-gov.svg" role="img" alt="" aria-hidden="true">
|
||
<div class="usa-media-block__body">
|
||
<p>
|
||
<strong>Official websites use .gov</strong>
|
||
<br/>
|
||
A <strong>.gov</strong> website belongs to an official government organization in the United States.
|
||
</p>
|
||
</div>
|
||
</div>
|
||
<div class="usa-banner__guidance tablet:grid-col-6">
|
||
<img class="usa-banner__icon usa-media-block__img" src="/libraries/nist-component-library/dist/img/icon-https.svg" role="img" alt="" aria-hidden="true">
|
||
<div class="usa-media-block__body">
|
||
<p>
|
||
<strong>Secure .gov websites use HTTPS</strong>
|
||
<br/>
|
||
A <strong>lock</strong> ( <span class="icon-lock">
|
||
<svg xmlns="http://www.w3.org/2000/svg" width="52" height="64" viewbox="0 0 52 64" class="usa-banner__lock-image" role="img" aria-labelledby="banner-lock-title banner-lock-description" focusable="false">
|
||
<title id="banner-lock-title">Lock</title>
|
||
<desc id="banner-lock-description">A locked padlock</desc><path fill="#000000" fill-rule="evenodd" d="M26 0c10.493 0 19 8.507 19 19v9h3a4 4 0 0 1 4 4v28a4 4 0 0 1-4 4H4a4 4 0 0 1-4-4V32a4 4 0 0 1 4-4h3v-9C7 8.507 15.507 0 26 0zm0 8c-5.979 0-10.843 4.77-10.996 10.712L15 19v9h22v-9c0-6.075-4.925-11-11-11z"/></svg>
|
||
</span>
|
||
) or <strong>https://</strong> means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
|
||
</p>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</section>
|
||
<!-- nist-index-ignore-end -->
|
||
|
||
|
||
<div data-elastic-exclude>
|
||
<!-- nist-index-ignore-start -->
|
||
<div class="nist-print-header" style="display:none;">
|
||
<p class="nist-print-header__url">https://www.nist.gov/theoretical-chemistry-modeling</p>
|
||
<img class="nist-print-header__logo" width="289" height="38" src="/libraries/nist-component-library/dist/img/logo/nist_logo_sidestack.svg" alt="National Institute of Standards and Technology" />
|
||
</div>
|
||
|
||
|
||
<div class="usa-overlay"></div>
|
||
<header class="usa-header nist-header--www nist-header--minimal" role="banner">
|
||
<div class="usa-navbar">
|
||
<div class="usa-logo flex-fill">
|
||
<a href="/" title="National Institute of Standards and Technology" aria-label="Home">
|
||
<img src="/libraries/nist-component-library/dist/img/logo/logo.svg" alt="National Institute of Standards and Technology" width="300px" height="80px" />
|
||
</a>
|
||
</div>
|
||
<div class="usa-header__right grid-row flex-auto">
|
||
<div class="grid-col-fill nist-header__search-group">
|
||
|
||
<form class="usa-search usa-search--small"
|
||
accept-charset="UTF-8"
|
||
action="/search"
|
||
id="search_form"
|
||
method="get">
|
||
<div role="search">
|
||
<label class="usa-sr-only" for="search-form">Search NIST</label>
|
||
<input class="usa-input" id="search-form" type="search" name="s" placeholder="Search NIST" required="" maxlength="128">
|
||
<button class="usa-button" type="submit"><img src="/libraries/nist-component-library/dist/img/usa-icons-bg/search--white.svg" class="usa-search__submit-icon" alt="Search"></button>
|
||
</div>
|
||
</form>
|
||
</div>
|
||
<div class="grid-col-auto padding-left-1">
|
||
<button class="usa-menu-btn">Menu</button>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
|
||
|
||
<nav aria-label="Primary navigation" class="usa-nav">
|
||
<div class="usa-nav__inner">
|
||
<button class="usa-nav__close">Close</button>
|
||
<ul class="usa-nav__primary usa-accordion">
|
||
<li class="usa-nav__primary-item">
|
||
<a class="usa-nav__link" href="/publications">Publications</a>
|
||
</li>
|
||
<li class="usa-nav__primary-item">
|
||
<button class="usa-accordion__button usa-nav__link" aria-expanded="false" aria-controls="primary_menu-2"><span>What We Do</span></button>
|
||
<div id="primary_menu-2" class="usa-nav__submenu usa-megamenu">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/topics" class="usa-nav__link">All Topics</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/advanced-communications" class="usa-nav__link">Advanced communications</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/artificial-intelligence" class="usa-nav__link">Artificial intelligence</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/bioscience" class="usa-nav__link">Bioscience</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/buildings-construction" class="usa-nav__link">Buildings and construction</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/chemistry" class="usa-nav__link">Chemistry</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/cybersecurity" class="usa-nav__link">Cybersecurity</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/electronics" class="usa-nav__link">Electronics</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/energy" class="usa-nav__link">Energy</a>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/environment" class="usa-nav__link">Environment</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/fire" class="usa-nav__link">Fire</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/forensic-science" class="usa-nav__link">Forensic science</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/health" class="usa-nav__link">Health</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/information-technology" class="usa-nav__link">Information technology</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/infrastructure" class="usa-nav__link">Infrastructure</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/manufacturing" class="usa-nav__link">Manufacturing</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/materials" class="usa-nav__link">Materials</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/mathematics-statistics" class="usa-nav__link">Mathematics and statistics</a>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/metrology" class="usa-nav__link">Metrology</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/nanotechnology" class="usa-nav__link">Nanotechnology</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/neutron-research" class="usa-nav__link">Neutron research</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/performance-excellence" class="usa-nav__link">Performance excellence</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/physics" class="usa-nav__link">Physics</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/public-safety" class="usa-nav__link">Public safety</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/quantum-information-science" class="usa-nav__link">Quantum information science</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/resilience" class="usa-nav__link">Resilience</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/standards" class="usa-nav__link">Standards</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/transportation" class="usa-nav__link">Transportation</a>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</li>
|
||
<li class="usa-nav__primary-item">
|
||
<button class="usa-accordion__button usa-nav__link" aria-expanded="false" aria-controls="primary_menu-3"><span>Labs & Major Programs</span></button>
|
||
<div id="primary_menu-3" class="usa-nav__submenu usa-megamenu">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/adlp" class="usa-nav__link">Assoc Director of Laboratory Programs</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/laboratories" class="usa-nav__link">Laboratories</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/ctl" class="usa-nav__link">Communications Technology Laboratory</a>
|
||
</li>
|
||
<li>
|
||
<a href="/el" class="usa-nav__link">Engineering Laboratory</a>
|
||
</li>
|
||
<li>
|
||
<a href="/itl" class="usa-nav__link">Information Technology Laboratory</a>
|
||
</li>
|
||
<li>
|
||
<a href="/mml" class="usa-nav__link">Material Measurement Laboratory</a>
|
||
</li>
|
||
<li>
|
||
<a href="/pml" class="usa-nav__link">Physical Measurement Laboratory</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/user-facilities" class="usa-nav__link">User Facilities</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/ncnr" class="usa-nav__link">NIST Center for Neutron Research</a>
|
||
</li>
|
||
<li>
|
||
<a href="/cnst" class="usa-nav__link">CNST NanoFab</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/labs-major-programs/research-test-beds" class="usa-nav__link">Research Test Beds</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/laboratories/projects-programs" class="usa-nav__link">Research Projects</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/laboratories/tools-instruments" class="usa-nav__link">Tools & Instruments</a>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/major-programs" class="usa-nav__link">Major Programs</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/baldrige" class="usa-nav__link">Baldrige Performance Excellence Program</a>
|
||
</li>
|
||
<li>
|
||
<a href="/chips" class="usa-nav__link">CHIPS for America Initiative</a>
|
||
</li>
|
||
<li>
|
||
<a href="/mep" class="usa-nav__link">Manufacturing Extension Partnership (MEP)</a>
|
||
</li>
|
||
<li>
|
||
<a href="/oam" class="usa-nav__link">Office of Advanced Manufacturing</a>
|
||
</li>
|
||
<li>
|
||
<a href="/spo" class="usa-nav__link">Special Programs Office</a>
|
||
</li>
|
||
<li>
|
||
<a href="/tpo" class="usa-nav__link">Technology Partnerships Office</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</li>
|
||
<li class="usa-nav__primary-item">
|
||
<button class="usa-accordion__button usa-nav__link" aria-expanded="false" aria-controls="primary_menu-4"><span>Services & Resources</span></button>
|
||
<div id="primary_menu-4" class="usa-nav__submenu usa-megamenu">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/content/standards-measurements" class="usa-nav__link">Standards and Measurements</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/calibrations" class="usa-nav__link">Calibration Services</a>
|
||
</li>
|
||
<li>
|
||
<a href="/nvlap" class="usa-nav__link">Laboratory Accreditation (NVLAP)</a>
|
||
</li>
|
||
<li>
|
||
<a href="/nist-quality-system" class="usa-nav__link">Quality System</a>
|
||
</li>
|
||
<li>
|
||
<a href="/srm" class="usa-nav__link">Standard Reference Materials (SRMs)</a>
|
||
</li>
|
||
<li>
|
||
<a href="/sri" class="usa-nav__link">Standard Reference Instruments (SRIs)</a>
|
||
</li>
|
||
<li>
|
||
<a href="/standardsgov" class="usa-nav__link">Standards.gov</a>
|
||
</li>
|
||
<li>
|
||
<a href="/pml/time-and-frequency-division/time-services" class="usa-nav__link">Time Services</a>
|
||
</li>
|
||
<li>
|
||
<a href="/pml/owm" class="usa-nav__link">Office of Weights and Measures</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/services-resources/software" class="usa-nav__link">Software</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/data" class="usa-nav__link">Data</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="https://webbook.nist.gov/chemistry/" class="usa-nav__link">Chemistry WebBook</a>
|
||
</li>
|
||
<li>
|
||
<a href="https://nvd.nist.gov/" class="usa-nav__link">National Vulnerability Database</a>
|
||
</li>
|
||
<li>
|
||
<a href="/pml/productsservices/physical-reference-data" class="usa-nav__link">Physical Reference Data</a>
|
||
</li>
|
||
<li>
|
||
<a href="/srd" class="usa-nav__link">Standard Reference Data (SRD)</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="https://shop.nist.gov/" class="usa-nav__link">Storefront</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/tpo" class="usa-nav__link">License & Patents</a>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="https://csrc.nist.gov/" class="usa-nav__link">Computer Security Resource Center (CSRC)</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/nist-research-library" class="usa-nav__link">NIST Research Library</a>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</li>
|
||
<li class="usa-nav__primary-item">
|
||
<button class="usa-accordion__button usa-nav__link" aria-expanded="false" aria-controls="primary_menu-5"><span>News & Events</span></button>
|
||
<div id="primary_menu-5" class="usa-nav__submenu usa-megamenu">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/news-events/news" class="usa-nav__link">News</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/news-events/events" class="usa-nav__link">Events</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/blogs" class="usa-nav__link">Blogs</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/feature-stories" class="usa-nav__link">Feature Stories</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/awards" class="usa-nav__link">Awards</a>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/video-gallery" class="usa-nav__link">Video Gallery</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/image-gallery" class="usa-nav__link">Image Gallery</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/pao/media-contacts" class="usa-nav__link">Media Contacts</a>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</li>
|
||
<li class="usa-nav__primary-item">
|
||
<button class="usa-accordion__button usa-nav__link" aria-expanded="false" aria-controls="primary_menu-6"><span>About NIST</span></button>
|
||
<div id="primary_menu-6" class="usa-nav__submenu usa-megamenu">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/about-nist" class="usa-nav__link">About Us</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/director/leadership" class="usa-nav__link">Leadership</a>
|
||
</li>
|
||
<li>
|
||
<a href="/director/nist-organization-structure" class="usa-nav__link">Organization Structure</a>
|
||
</li>
|
||
<li>
|
||
<a href="/about-nist/budget-planning" class="usa-nav__link">Budget & Planning</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/about-nist/contact-us" class="usa-nav__link">Contact Us</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/about-nist/visit" class="usa-nav__link">Visit</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/careers" class="usa-nav__link">Careers</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="/iaao/academic-affairs-office" class="usa-nav__link">Student programs</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
</ul></div><div class="column-break tablet:grid-col-fill"><ul class="usa-nav__submenu-list">
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/about-nist/work-nist" class="usa-nav__link">Work with NIST</a>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/history" class="usa-nav__link">History</a>
|
||
<ul class="usa-nav__submenu-list">
|
||
<li>
|
||
<a href="http://nistdigitalarchives.contentdm.oclc.org/" class="usa-nav__link">NIST Digital Archives</a>
|
||
</li>
|
||
<li>
|
||
<a href="/nist-museum" class="usa-nav__link">NIST Museum</a>
|
||
</li>
|
||
<li>
|
||
<a href="/nist-and-nobel" class="usa-nav__link">NIST and the Nobel</a>
|
||
</li>
|
||
</ul>
|
||
</li>
|
||
<li class="usa-nav__submenu-item">
|
||
<a href="/education" class="usa-nav__link">Educational Resources</a>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</nav>
|
||
|
||
|
||
|
||
|
||
</header>
|
||
<!-- nist-index-ignore-end -->
|
||
</div>
|
||
|
||
<div class="grid-container">
|
||
|
||
|
||
|
||
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
<div
|
||
id="block-nist-www-content" class="nist-block"
|
||
>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<section class="nist-page__content usa-section clearfix" >
|
||
<a id="main-content" tabindex="-1"></a>
|
||
|
||
<div>
|
||
<div class="nist-section-header nist-section-header--menu nist-section-header--topic nist-section-header--hero">
|
||
<div class="nist-section-header__top grid-container">
|
||
|
||
<a href="/chemistry">Chemistry</a>
|
||
|
||
|
||
</div>
|
||
<div class="nist-section-header__sub">
|
||
<div class="nist-section-header__main grid-container">
|
||
<div class="grid-row">
|
||
<div class="nist-section-header__title">
|
||
|
||
<h1 class="nist-page__title">Theoretical chemistry & modeling</h1>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
<section
|
||
class="nist-page__content usa-section clearfix"
|
||
>
|
||
|
||
<a id="main-content" tabindex="-1"></a>
|
||
|
||
|
||
|
||
<div class="grid-container margin-top-4">
|
||
<div class="grid-row grid-gap-6">
|
||
|
||
|
||
|
||
<div
|
||
class="nist-page__region nist-page__region--content tablet-lg:grid-col-12"
|
||
>
|
||
|
||
<div
|
||
class="nist-block"
|
||
>
|
||
|
||
|
||
<div class="margin-y-4">
|
||
|
||
<div class="paragraph paragraph--type--dynamic-content-list-topic paragraph--view-mode--default">
|
||
<h2 class="nist-block__title"> <div class="string">News and Updates</div>
|
||
</h2>
|
||
<div
|
||
class="nist-block "
|
||
>
|
||
|
||
|
||
<div class="viewsreference"><div class="views-element-container"><div class="js-view-dom-id-63d8de399b542acec8c8364c07f1dd2b3be57fbe1cb129eb7193245e823ad82d">
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<div>
|
||
<article
|
||
about="/news-events/news/2019/05/nist-study-identifies-chemical-blends-possible-alternative-refrigerants" typeof="schema:Article" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__image">
|
||
<div class="entity-reference"> <a href="/news-events/news/2019/05/nist-study-identifies-chemical-blends-possible-alternative-refrigerants" hreflang="en"><img loading="lazy" src="/sites/default/files/styles/thumbnail/public/images/2019/04/18/18mml026-170403-f-ip756-073-cleaning-hvac-unit-at-nigerien-afb-credit-us-air-force-photo-by-senior-airman-jimmie-d-pike.jpg?itok=V9ewgy_Y" width="71" height="100" alt="A man in brown camouflage clothing, including baseball cap, gloves and ear protection, uses a long pole to clean the inside of an HVAC unit outside a military tent." typeof="foaf:Image" />
|
||
|
||
</a>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/news-events/news/2019/05/nist-study-identifies-chemical-blends-possible-alternative-refrigerants"><span property="schema:name">NIST Study Identifies Chemical Blends as Possible Alternative Refrigerants</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2019-05-29T12:00:00Z">May 29, 2019</time>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div property="schema:text" class="text-with-summary"> More than a dozen chemical blends could serve as alternative refrigerants that won’t heat the atmosphere as much as today’s refrigerants do, or catch fire
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/news-events/news/2018/11/nist-simulations-suggest-graphene-can-stretch-be-tunable-ion-filter" typeof="schema:Article" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__image">
|
||
<div class="entity-reference"> <a href="/news-events/news/2018/11/nist-simulations-suggest-graphene-can-stretch-be-tunable-ion-filter" hreflang="en"><img loading="lazy" src="/sites/default/files/styles/thumbnail/public/images/2018/11/26/18mml028_graphene-membrane-2mb_crop.jpg?itok=-GntGItB" width="100" height="77" alt="Horizontal blue mesh shaped like chicken wire featuring a regular pattern of some bigger holes. White balls are scattered around and some are going through the big holes." typeof="foaf:Image" />
|
||
|
||
</a>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/news-events/news/2018/11/nist-simulations-suggest-graphene-can-stretch-be-tunable-ion-filter"><span property="schema:name">NIST Simulations Suggest Graphene Can Stretch to Be a Tunable Ion Filter</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2018-11-26T12:00:00Z">November 26, 2018</time>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div property="schema:text" class="text-with-summary"> Researchers at the National Institute of Standards and Technology (NIST) have conducted simulations suggesting that graphene, in addition to its many other
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/news-events/news/2018/06/nist-researchers-simulate-simple-logic-nanofluidic-computing" typeof="schema:Article" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__image">
|
||
<div class="entity-reference"> <a href="/news-events/news/2018/06/nist-researchers-simulate-simple-logic-nanofluidic-computing" hreflang="en"><img loading="lazy" src="/sites/default/files/styles/thumbnail/public/images/2018/06/26/18mml017_graphene_transistor.png?itok=JIRO_GUU" width="100" height="59" alt="Illustration of gray-colored chains linked together with red holes and purple spheres" typeof="foaf:Image" />
|
||
|
||
</a>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/news-events/news/2018/06/nist-researchers-simulate-simple-logic-nanofluidic-computing"><span property="schema:name">NIST Researchers Simulate Simple Logic for Nanofluidic Computing</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2018-06-29T12:00:00Z">June 29, 2018</time>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div property="schema:text" class="text-with-summary"> Invigorating the idea of computers based on fluids instead of silicon, researchers at the National Institute of Standards and Technology (NIST) have shown how
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<footer>
|
||
<div class="link-list"><a href="/news-events/news-updates/topic/248441">View All News and Updates</a></div>
|
||
</footer>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
|
||
<div class="paragraph paragraph--type--dynamic-content-list-topic paragraph--view-mode--default">
|
||
<h2 class="nist-block__title"> <div class="string">Events</div>
|
||
</h2>
|
||
<div
|
||
class="nist-block "
|
||
>
|
||
|
||
|
||
<div class="viewsreference"><div class="views-element-container"><div class="js-view-dom-id-e0981ef990469209e7a65ad4d54903f57686c5090965f2421f9e560cc41f5702">
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<div>
|
||
<article
|
||
about="/news-events/events/2025/03/workshop-advancing-uv-germicidal-efficacy-measurement-metrology-standards" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__image">
|
||
<div class="entity-reference"> <a href="/news-events/events/2025/03/workshop-advancing-uv-germicidal-efficacy-measurement-metrology-standards" hreflang="en"><img loading="lazy" src="/sites/default/files/styles/thumbnail/public/images/2025/01/16/NEW%20UV%20Germicidal%20Img.png?itok=jsgg-PUs" width="100" height="84" alt="Abstract blue image Advancing UV Germicidal Efficacy Measurement: Metrology, Standards, Data and Protocols " typeof="foaf:Image" />
|
||
|
||
</a>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/news-events/events/2025/03/workshop-advancing-uv-germicidal-efficacy-measurement-metrology-standards"><span>Workshop: Advancing UV Germicidal Efficacy Measurement: Metrology, Standards, Data and Protocols</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="smartdate">Tue, Mar 18 - Thu, Mar 20 2025</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> The U.S. Department of Commerce, National Institute of Standards and Technology (NIST) and the International Ultraviolet
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<footer>
|
||
<div class="link-list"><a href="/news-events/upcoming-events/topic/248441">View All Events</a></div>
|
||
</footer>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
|
||
<div class="paragraph paragraph--type--dynamic-content-list-topic paragraph--view-mode--default">
|
||
<h2 class="nist-block__title"> <div class="string">Projects and Programs</div>
|
||
</h2>
|
||
<div
|
||
class="nist-block "
|
||
>
|
||
|
||
|
||
<div class="viewsreference"><div class="views-element-container"><div class="js-view-dom-id-e32a31adaa62d39bde9ad9eb6a637348c1c2a927e596162468c0ce7ad429636b">
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<div>
|
||
<article
|
||
about="/programs-projects/standards-development-ensure-reliable-breath-analysis-field" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__image">
|
||
<div class="entity-reference"> <a href="/programs-projects/standards-development-ensure-reliable-breath-analysis-field" hreflang="en"><img loading="lazy" src="/sites/default/files/styles/thumbnail/public/images/2024/07/10/Picture1%20summary%20use.png?itok=SGOuNpgV" width="100" height="67" alt="Breathalyzer" typeof="foaf:Image" />
|
||
|
||
</a>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/programs-projects/standards-development-ensure-reliable-breath-analysis-field"><span>Standards Development to Ensure Reliable Breath Analysis in the Field</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-badge display-inline-block margin-y-1 nist-badge--blue boolean">Ongoing</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> Numerous volatile organic compounds (VOCs) have been identified in human breath. These compounds can be produced by the body or by organisms in the body (e.g., bacteria or viruses) and provide a non-invasive window into human health. Inexpensive point-of-care devices are being developed to diagnose
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/programs-projects/ncnr-dac-and-ccus-efforts" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/programs-projects/ncnr-dac-and-ccus-efforts"><span>NCNR DAC and CCUS efforts</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-badge display-inline-block margin-y-1 nist-badge--blue boolean">Ongoing</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> Objectives To advance US competitiveness in Direct Air Capture (DAC) and Carbon Capture, Usage, and Sequestration (CCUS) Use advanced neutron scattering techniques to understand the adsorption process for the most promising materials for adsorption-based carbon capture and provide avenues to
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/programs-projects/measuring-intermolecular-interactions-electro-acoustic-spectroscopy" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/programs-projects/measuring-intermolecular-interactions-electro-acoustic-spectroscopy"><span>Measuring Intermolecular Interactions with Electro-Acoustic Spectroscopy</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-badge display-inline-block margin-y-1 nist-badge--blue boolean">Ongoing</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> We have a number of opportunities to collaborate with us. See below for details. What does this project aim to do for the chemical industry? Many industrial processes depend on the intermolecular environment- the solvents and ions that surround a molecule. These interactions impact separations
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/programs-projects/macromolecular-architectures" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/programs-projects/macromolecular-architectures"><span>Macromolecular Architectures</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-badge display-inline-block margin-y-1 nist-badge--blue boolean">Ongoing</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> This project’s purpose is to synthesize and characterize model thermoplastics, thermoplastic elastomers (TPE), and mixed resins with systematic variation of polymer sequence, chemistry, and architectures to generate libraries of quantitative structure-property relationships validated by multiple
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<footer>
|
||
<div class="link-list"><a href="/laboratories/projects-programs/topic/248441">View All Projects/Programs</a></div>
|
||
</footer>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
|
||
<div class="paragraph paragraph--type--dynamic-content-list-topic paragraph--view-mode--default">
|
||
<h2 class="nist-block__title"> <div class="string">Publications</div>
|
||
</h2>
|
||
<div
|
||
class="nist-block "
|
||
>
|
||
|
||
|
||
<div class="viewsreference"><div class="views-element-container"><div class="js-view-dom-id-d348570463c781e32787a2630416ee97f047be0fd82071094661d26d8db4e34d">
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
<div>
|
||
<article
|
||
about="/publications/platinum-hydride-formation-during-cathodic-corrosion-aqueous-solutions" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/publications/platinum-hydride-formation-during-cathodic-corrosion-aqueous-solutions"><span>Platinum Hydride Formation during Cathodic Corrosion in Aqueous Solutions</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2025-01-22T12:00:00Z">January 22, 2025</time>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-field nist-field--label-inline text-long">
|
||
<div class="nist-field__label">Author(s)</div>
|
||
<div class="nist-field__item">Thomas Hersbach, Angel T. Garcia-Esparza, Selwyn Hanselman, Thijs Hoogenboom, Ian McCrum, Dimitra Anastasiadou, Jeremey Feaster, Thomas Jaramillo, <span class="nist-author">John Vinson</span>, Thomas Kroll, Amanda Garcia, Petr Krtil, Dimosthenis Sokaras, Marc Koper</div>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> Cathodic corrosion is an electrochemical phenomenon that dramatically etches metals under commonly used electrocatalytic conditions. Though cathodic corrosion
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/publications/synaptic-plasticity-2d-nanofluidic-memristor-competitive-bicationic-transport" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/publications/synaptic-plasticity-2d-nanofluidic-memristor-competitive-bicationic-transport"><span>Synaptic-Like Plasticity in 2D Nanofluidic Memristor from Competitive Bicationic Transport</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2024-11-06T12:00:00Z">November 6, 2024</time>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-field nist-field--label-inline text-long">
|
||
<div class="nist-field__label">Author(s)</div>
|
||
<div class="nist-field__item"><span class="nist-author">Yechan Noh</span>, <span class="nist-author">Alex Smolyanitsky</span></div>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> Synaptic plasticity, the dynamic tuning of communication strength between neurons, serves as a fundamental basis for memory and learning in biological organisms
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/publications/modxna-modular-approach-parameterization-modified-nucleic-acids-use-amber-force-fields" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/publications/modxna-modular-approach-parameterization-modified-nucleic-acids-use-amber-force-fields"><span>modXNA: a modular approach to parameterization of modified nucleic acids for use with Amber force fields</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2024-10-29T12:00:00Z">October 29, 2024</time>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-field nist-field--label-inline text-long">
|
||
<div class="nist-field__label">Author(s)</div>
|
||
<div class="nist-field__item">Olivia Love, Rodrigo Galindo-Murillo, Daniel Roe, Pablo D. Dans, Thomas E. Cheatham III, <span class="nist-author">Christina Bergonzo</span></div>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> Modified nucleic acids have surged as a popular therapeutic route, emphasizing the importance of nucleic acid research in drug discovery and development. Beyond
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
|
||
</div>
|
||
<div>
|
||
<article
|
||
about="/publications/cavity-born-oppenheimer-approximation-molecules-and-materials-electric-field-response" class="nist-teaser"
|
||
>
|
||
<div class="nist-teaser__content-wrapper">
|
||
<header>
|
||
<h3 class="nist-teaser__title"><a href="/publications/cavity-born-oppenheimer-approximation-molecules-and-materials-electric-field-response"><span>Cavity-Born Oppenheimer Approximation for Molecules and Materials via Electric Field Response</span>
|
||
</a></h3>
|
||
<div class="nist-teaser__date">
|
||
<div class="daterange"><time datetime="2024-10-15T12:00:00Z">October 15, 2024</time>
|
||
</div>
|
||
|
||
</div>
|
||
<div class="nist-teaser__type">
|
||
<div class="nist-field nist-field--label-inline text-long">
|
||
<div class="nist-field__label">Author(s)</div>
|
||
<div class="nist-field__item"><span class="nist-author">John Bonini</span>, Iman Ahmadabadi, Johannes Flick</div>
|
||
</div>
|
||
|
||
</div>
|
||
|
||
</header>
|
||
<div class="nist-teaser__content">
|
||
<div class="text-with-summary"> We present an \it ab initio} method for computing vibro-polariton and phonon-polariton spectra of molecules and solids coupled to the photon modes of optical
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
</article>
|
||
|
||
</div>
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
</div>
|
||
|
||
</div>
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
</div>
|
||
|
||
<div class="margin-y-4">
|
||
</div>
|
||
|
||
|
||
|
||
</div>
|
||
|
||
</div>
|
||
|
||
|
||
</div>
|
||
</div>
|
||
|
||
|
||
<div class="grid-container">
|
||
|
||
|
||
</div>
|
||
|
||
</section>
|
||
|
||
</section>
|
||
|
||
|
||
</div>
|
||
|
||
|
||
|
||
<div data-elastic-exclude>
|
||
<!-- nist-index-ignore-start -->
|
||
|
||
<footer class="nist-footer padding-bottom-4">
|
||
|
||
|
||
<div class="grid-container nist-footer__info">
|
||
<div class="grid-row">
|
||
<div class="tablet:grid-col-6">
|
||
<div class="nist-footer__logo">
|
||
<a href="/" title="National Institute of Standards and Technology" rel="home">
|
||
<img class="nist-footer__logo-img" src="/libraries/nist-component-library/dist/img/logo/NIST-Logo-Brand-White.svg" alt="National Institute of Standards and Technology logo" width="300px" height="42px" />
|
||
</a>
|
||
</div>
|
||
<div class="nist-footer__contact">
|
||
<h3 class="nist-footer__contact-heading">HEADQUARTERS</h3>
|
||
<address>
|
||
100 Bureau Drive<br>
|
||
Gaithersburg, MD 20899<br>
|
||
<a href="tel:301-975-2000">301-975-2000</a>
|
||
</address>
|
||
<p>
|
||
<a href="mailto:do-webmaster@nist.gov">Webmaster</a> | <a href="https://www.nist.gov/about-nist/contact-us">Contact Us</a> | <a href="https://www.nist.gov/visit">Our Other Offices</a>
|
||
</p>
|
||
</div>
|
||
</div>
|
||
<div class="tablet:grid-col-6">
|
||
<div class="nist-footer__social-links">
|
||
|
||
<a class="nist-social nist-social--x-white" href=" https://x.com/NIST">
|
||
<span>X.com</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--facebook-white" href=" https://www.facebook.com/NIST">
|
||
<span>Facebook</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--linkedin-white" href=" https://www.linkedin.com/company/nist">
|
||
<span>LinkedIn</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--instagram-white" href=" https://www.instagram.com/nist/">
|
||
<span>Instagram</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--youtube-white" href=" https://www.youtube.com/NIST">
|
||
<span>YouTube</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--giphy-white" href=" https://giphy.com/nist">
|
||
<span>Giphy</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--rss-white" href=" https://www.nist.gov/news-events/nist-rss-feeds">
|
||
<span>RSS Feed</span>
|
||
</a>
|
||
|
||
<a class="nist-social nist-social--envelope-white" href=" https://public.govdelivery.com/accounts/USNIST/subscriber/new">
|
||
<span>Mailing List</span>
|
||
</a>
|
||
</div>
|
||
<div class="nist-footer__feedback">
|
||
How are we doing? <a class="usa-button" rel="nofollow" href="/form/nist-gov-feedback?destination=/theoretical-chemistry-modeling" title="Provide feedback">Feedback</a>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
<div class="grid-container">
|
||
<div class="nist-footer__nav" role="navigation">
|
||
<ul>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/privacy-policy">Site Privacy</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/oism/accessibility">Accessibility</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/privacy">Privacy Program</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/oism/copyrights">Copyrights</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.commerce.gov/vulnerability-disclosure-policy">Vulnerability Disclosure</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/no-fear-act-policy">No Fear Act Policy</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/office-director/freedom-information-act">FOIA</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/environmental-policy-statement">Environmental Policy</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/summary-report-scientific-integrity">Scientific Integrity</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.nist.gov/nist-information-quality-standards">Information Quality Standards</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://www.commerce.gov/">Commerce.gov</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="http://www.science.gov/">Science.gov</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="http://www.usa.gov/">USA.gov</a>
|
||
</li>
|
||
<li class="nist-footer__menu-item">
|
||
<a href="https://vote.gov/">Vote.gov</a>
|
||
</li>
|
||
</ul>
|
||
</div>
|
||
</div>
|
||
|
||
|
||
</footer>
|
||
<!-- nist-index-ignore-end -->
|
||
</div>
|
||
|
||
</div>
|
||
|
||
|
||
|
||
<script type="application/json" data-drupal-selector="drupal-settings-json">{"path":{"baseUrl":"\/","pathPrefix":"","currentPath":"node\/1079126","currentPathIsAdmin":false,"isFront":false,"currentLanguage":"en"},"pluralDelimiter":"\u0003","suppressDeprecationErrors":true,"back_to_top":{"back_to_top_button_trigger":100,"back_to_top_speed":1200,"back_to_top_prevent_on_mobile":false,"back_to_top_prevent_in_admin":true,"back_to_top_button_type":"image","back_to_top_button_text":"Back to top"},"google_analytics":{"account":"G-HEQ0YF2VYL","trackOutbound":true,"trackMailto":true,"trackTel":true,"trackDownload":true,"trackDownloadExtensions":"7z|aac|arc|arj|asf|asx|avi|bin|bsh|c|csv|doc(x|m)?|dot(x|m)?|dw(fx|g|gd)|dxf|eps|epub|exe|f(90)|flv|gif|gz|gzip|hqx|jar|jpe?g|js|m1v|mp(2|3|4|e?g)|mobi|mov(ie)?|msi|msp|pdf|phps|pl|png|ppt(x|m)?|pot(x|m)?|pps(x|m)?|ppam|sld(x|m)?|thmx|qtm?|ra(m|r)?|rfa|rtf|rvt|sch|sea|sit|swf|tar|tgz|tif|txt|txz|wav|wma|wmv|wpd|wrl|xls(x|m|b)?|xlt(x|m)|xlam|xml|xsd|z|zip"},"nist_search":{"clickTracking":"search-report-click","isDebug":false,"clickTrackEnabled":true,"message":"NIST Search in debug mode. Check the browsers network inspector for Click Track reporting results..."},"data":{"extlink":{"extTarget":false,"extTargetNoOverride":false,"extNofollow":false,"extNoreferrer":false,"extFollowNoOverride":false,"extClass":"ext","extLabel":"(link is external)","extImgClass":false,"extSubdomains":true,"extExclude":"\\.gov\\\/|\\.mil\\\/|\\manufacturingusa\\.com\\\/","extInclude":"","extCssExclude":".ck-editor, .nist-video-thumbnail__lightbox-trigger, a.nist-icon--mail-blue","extCssExplicit":"","extAlert":true,"extAlertText":"Thank you for visiting NIST. We hope your visit was informative. We have provided a link to this site because it has information that may be of interest to our users. NIST does not necessarily endorse the views expressed or the facts presented on this site. Further, NIST does not endorse any commercial products that may be advertised or available on this site. Click OK to be directed to your link.","mailtoClass":"0","mailtoLabel":"(link sends email)","extUseFontAwesome":false,"extIconPlacement":"after","extFaLinkClasses":"fa fa-external-link","extFaMailtoClasses":"fa fa-envelope-o","whitelistedDomains":[]}},"user":{"uid":0,"permissionsHash":"bd6a443844dbe99b4e6942f3b1397526e760137efd2b1ee6b2d588fc414dff20"}}</script>
|
||
<script src="/sites/default/files/js/js_jDaFaXhHm6gPUKstNYX9eIyoQXghVs3g7rbR0QoqpYY.js?scope=footer&delta=0&language=en&theme=nist_www&include=eJxdjVsSwjAIRTdUZUkZ0mCCpaEm1OruTR-OTmf4gMN9eOwHZ9pmAv_b3b12UTUKOcwob-O-whl0mau5GzcWdMmiGJyVFsI5QsT9XdmIx6nok-AM1paNWaKRWq-Kx-JGDRC4om_BwnnYNBBFPcrlsEAiDFS-p1uW5U9BL1uNEMo8oVyPczfSY0ZxiTgm-wB1LWSO"></script>
|
||
<script src="https://siteimproveanalytics.com/js/siteanalyze_6017546.js" async></script>
|
||
<script src="/sites/default/files/js/js_rlmitLSHh_igCIctfTLlwZb4SwvxpBuizwxj5r-Oguk.js?scope=footer&delta=2&language=en&theme=nist_www&include=eJxdjVsSwjAIRTdUZUkZ0mCCpaEm1OruTR-OTmf4gMN9eOwHZ9pmAv_b3b12UTUKOcwob-O-whl0mau5GzcWdMmiGJyVFsI5QsT9XdmIx6nok-AM1paNWaKRWq-Kx-JGDRC4om_BwnnYNBBFPcrlsEAiDFS-p1uW5U9BL1uNEMo8oVyPczfSY0ZxiTgm-wB1LWSO"></script>
|
||
<script type="text/javascript">window.NREUM||(NREUM={});NREUM.info={"beacon":"bam.nr-data.net","licenseKey":"37b7ccb661","applicationID":"1089704227","transactionName":"YFxUN0sADEdYVkBaClkWdwBNCA1aFkVVVABoWlcAUQQ=","queueTime":4,"applicationTime":41,"atts":"TBtXQQMaH0k=","errorBeacon":"bam.nr-data.net","agent":""}</script></body>
|
||
</html>
|