Swart Lab - Theoretical Chemistry : dft-poll/index.html

<!DOCTYPE html> <html lang="en"> <head> <title>Swart Lab - Theoretical Chemistry : dft-poll/index.html </title> <meta charset="UTF-8"> <meta name="viewport" content="width=device-width, initial-scale=1"> <base href="../"> <link rel="stylesheet" href="mswart2024.css"> <link rel="stylesheet" href="academicons/css/academicons.css"> <link rel="stylesheet" href="font-awesome-4.7.0/css/font-awesome.css"> <link rel="icon" type="image/png" href="zegel.png"> <link rel="icon" type="image/x-icon" href="zegel.gif"> <link rel="shortcut icon" type="image/x-icon" href="zegel.gif"> <script id="MathJax-script" async src="mathjax/tex-mml-chtml.js"></script> </head> <body>  <div class="ms-menu w3-padding"> <a href="index.html"><i class="fa fa-home" aria-hidden="true"></i></a><br> <a href="menu.html"><i class="fa fa-bars" aria-hidden="true"></i></a><br> <a href="gdpr.html"><i class="fa fa-copyright" aria-hidden="true"></i></a> </div> <div class="ms-low w3-center w3-padding-small w3-hide-small"> <a href="biography.html"><img src="pics/zegel_oranje.png" alt="News" style='width:100%;'></a> </div> <div class="ms-lowmob w3-center w3-padding-small w3-hide-medium w3-hide-large"> <a href="biography.html"><img src="pics/zegel_oranje.png" alt="News" style='width:100%;'></a> </div>  <div class="w3-row-padding w3-margin-top ms-margin-left w3-margin-bottom w3-left-align"> <div class="w3-quarter ms-bg w3-round-xlarge w3-border w3-padding-large w3-left-align w3-small w3-hide-small" style='position: fixed; margin-top: 100px; width: 20%;'> <h5>the poll</h5> <a href="dft-poll/rules.html">rules</a><br> <a href="dft-poll/index.html">latest edition</a><br> <a href="dft-poll/newsitem.pdf">news-item</a><br> <a href="http://blogs.nature.com/thescepticalchymist/2014/11/five-years-of-polling-the-computational-chemistry-community.html">Blog entry Nature Chemistry</a> <h5>functionals</h5> <a href="dft-poll/res_dfas.html">list</a><br> <a href="dft-poll/results.html">results</a><br> <a href="dft-poll/references.html">references</a><br> <a href="dft-poll/reviews.html">reviews/perspectives</a><br> <h5>organizers</h5> <a href="biography.html">Marcel Swart</a><br> <a href="http://www.theochem.nl">Matthias Bickelhaupt</a><br> <a href="http://stark.udg.edu/~quel">Miquel Duran</a> <h5>platform</h5> We are using <a href="https://www.fillout.com">FillOut</a> for our poll </div> <div class="w3-quarter w3-padding-large w3-left-align w3-small w3-hide-small">   </div> <div class="w3-quarter ms-bg w3-round-xlarge w3-border w3-padding-large w3-left-align w3-small w3-hide-medium w3-hide-large" style='margin-top: 16px;'> <h5>the poll</h5> <a href="dft-poll/rules.html">rules</a><br> <a href="dft-poll/index.html">latest edition</a><br> <a href="dft-poll/newsitem.pdf">news-item</a><br> <a href="http://blogs.nature.com/thescepticalchymist/2014/11/five-years-of-polling-the-computational-chemistry-community.html">Blog entry Nature Chemistry</a> <h5>functionals</h5> <a href="dft-poll/res_dfas.html">list</a><br> <a href="dft-poll/results.html">results</a><br> <a href="dft-poll/references.html">references</a><br> <a href="dft-poll/reviews.html">reviews/perspectives</a><br> <h5>organizers</h5> <a href="biography.html">Marcel Swart</a><br> <a href="http://www.theochem.nl">Matthias Bickelhaupt</a><br> <a href="http://stark.udg.edu/~quel">Miquel Duran</a> <h5>platform</h5> We are using <a href="https://www.fillout.com">FillOut</a> for our poll </div> <div class="w3-half w3-padding-large w3-left-align w3-medium"> <h4> DFT Popularity Poll 2024 (Jun.1-Oct.1)</h4> The 2024 edition of the Density Functional Popularity Poll has closed: below you can find the 2024 results. <span class="w3-small"> <h6> News items </h6> <UL> <LI>News items:<br> <a href="dft-poll/news2024.pdf">[2024]</a> <a href="dft-poll/news2023.pdf">[2023]</a> <a href="dft-poll/news2022.pdf">[2022]</a> <a href="dft-poll/news2021.pdf">[2021]</a> <a href="dft-poll/news2020.pdf">[2020]</a> <a href="dft-poll/news2019.pdf">[2019]</a> <a href="dft-poll/news2018.pdf">[2018]</a> <a href="dft-poll/news2017.pdf">[2017]</a> <a href="dft-poll/news2016.pdf">[2016]</a> <a href="dft-poll/news2015.pdf">[2015]</a> <a href="dft-poll/news2014.pdf">[2014]</a> <a href="dft-poll/news2013.pdf">[2013]</a> <a href="dft-poll/news2012.pdf">[2012]</a> <a href="dft-poll/news2011.pdf">[2011]</a> <a href="dft-poll/news2010.pdf">[2010]</a> </LI> </UL> <h6> Full results for Primera and Segona Divisió </h6> <UL> <LI>Primera divisió<br> <a href="dft-poll/res2024_q1.html">[2024]</a> <a href="dft-poll/res2023_q1.html">[2023]</a> <a href="dft-poll/res2022_q1.html">[2022]</a> <a href="dft-poll/res2021_q1.html">[2021]</a> <a href="dft-poll/res2020_q1.html">[2020]</a> <a href="dft-poll/res2019_q1.html">[2019]</a> <a href="dft-poll/res2018_q1.html">[2018]</a> <a href="dft-poll/res2017_q1.html">[2017]</a> <a href="dft-poll/res2016_q1.html">[2016]</a> <a href="dft-poll/res2015_q1.html">[2015]</a> <a href="dft-poll/res2014_q1.html">[2014]</a> <a href="dft-poll/res2013_q1.html">[2013]</a> <a href="dft-poll/res2012_q1.html">[2012]</a> <a href="dft-poll/res2011_q1.html">[2011]</a> <a href="dft-poll/res2010_q1.html">[2010]</a> </LI> <LI>Segona divisió<br> <a href="dft-poll/res2024_q2.html">[2024]</a> <a href="dft-poll/res2023_q2.html">[2023]</a> <a href="dft-poll/res2022_q2.html">[2022]</a> <a href="dft-poll/res2021_q2.html">[2021]</a> <a href="dft-poll/res2020_q2.html">[2020]</a> <a href="dft-poll/res2019_q2.html">[2019]</a> <a href="dft-poll/res2018_q2.html">[2018]</a> <a href="dft-poll/res2017_q2.html">[2017]</a> <a href="dft-poll/res2016_q2.html">[2016]</a> <a href="dft-poll/res2015_q2.html">[2015]</a> <a href="dft-poll/res2014_q2.html">[2014]</a> <a href="dft-poll/res2013_q2.html">[2013]</a> <a href="dft-poll/res2012_q2.html">[2012]</a> <a href="dft-poll/res2011_q2.html">[2011]</a> <a href="dft-poll/res2010_q2.html">[2010]</a> </LI> </UL> <h6> Full results for density functionals </h6> <UL> <LI> Alphabetical order <a href="dft-poll/res_dfas.html">[data]</a></LI> <LI> Averages <a href="dft-poll/results.html">[2010-2024]</a></LI> <LI> PACO 201x coefficients <a href="dft-poll/paco_coefficients.html">[data]</a></LI> </UL> <h6> Full results for Third Question (2015-2018) </h6> <UL> <LI> Reaction barriers <a href="dft-poll/res2018_q3_01.html">[2018]</a> <a href="dft-poll/res2017_q3_01.html">[2017]</a> <a href="dft-poll/res2016_q3_01.html">[2016]</a> <a href="dft-poll/res2015_q3_01.html">[2015]</a> </LI> <LI> Normal modes analysis <a href="dft-poll/res2018_q3_02.html">[2018]</a> <a href="dft-poll/res2017_q3_02.html">[2017]</a> <a href="dft-poll/res2016_q3_02.html">[2016]</a> <a href="dft-poll/res2015_q3_02.html">[2015]</a> </LI> <LI> Chiroptical properties <a href="dft-poll/res2018_q3_03.html">[2018]</a> <a href="dft-poll/res2017_q3_03.html">[2017]</a> <a href="dft-poll/res2016_q3_03.html">[2016]</a> <a href="dft-poll/res2015_q3_03.html">[2015]</a> </LI> <LI> Hydrogen bonds <a href="dft-poll/res2018_q3_04.html">[2018]</a> <a href="dft-poll/res2017_q3_04.html">[2017]</a> <a href="dft-poll/res2016_q3_04.html">[2016]</a> <a href="dft-poll/res2015_q3_04.html">[2015]</a> </LI> <LI> Excitation energies <a href="dft-poll/res2018_q3_05.html">[2018]</a> <a href="dft-poll/res2017_q3_05.html">[2017]</a> <a href="dft-poll/res2016_q3_05.html">[2016]</a> <a href="dft-poll/res2015_q3_05.html">[2015]</a> </LI> <LI> Main group elements <a href="dft-poll/res2018_q3_06.html">[2018]</a> <a href="dft-poll/res2017_q3_06.html">[2017]</a> <a href="dft-poll/res2016_q3_06.html">[2016]</a> <a href="dft-poll/res2015_q3_06.html">[2015]</a> </LI> <LI> Transition metals <a href="dft-poll/res2018_q3_07.html">[2018]</a> <a href="dft-poll/res2017_q3_07.html">[2017]</a> <a href="dft-poll/res2016_q3_07.html">[2016]</a> <a href="dft-poll/res2015_q3_07.html">[2015]</a> </LI> <LI> Relativistic elements <a href="dft-poll/res2018_q3_08.html">[2018]</a> <a href="dft-poll/res2017_q3_08.html">[2017]</a> <a href="dft-poll/res2016_q3_08.html">[2016]</a> <a href="dft-poll/res2015_q3_08.html">[2015]</a> </LI> <LI> NMR shieldings, NMR couplings <a href="dft-poll/res2018_q3_09.html">[2018]</a> <a href="dft-poll/res2017_q3_09.html">[2017]</a> <a href="dft-poll/res2016_q3_09.html">[2016]</a> <a href="dft-poll/res2015_q3_09.html">[2015]</a> </LI> <LI> Geometries <a href="dft-poll/res2018_q3_10.html">[2018]</a> <a href="dft-poll/res2017_q3_10.html">[2017]</a> <a href="dft-poll/res2016_q3_10.html">[2016]</a> <a href="dft-poll/res2015_q3_10.html">[2015]</a> </LI> <LI> Spin-state splittings <a href="dft-poll/res2018_q3_11.html">[2018]</a> <a href="dft-poll/res2017_q3_11.html">[2017]</a> <a href="dft-poll/res2016_q3_11.html">[2016]</a> <a href="dft-poll/res2015_q3_11.html">[2015]</a> </LI> </UL> </span> </div> <div class="w3-quarter w3-padding-large w3-left-align w3-medium"> <img src="dft-poll/wordcloud-rotated.png" alt="News" style='width:100%;'><br> 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Swart Lab - Theoretical Chemistry : dft-poll/index.html