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Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories.

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Title: Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories.
Authors: Iyer GR; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States., Whelpley N; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States., Tiihonen J; Department of Physics, Nanoscience Center, University of Jyväskylä, Jyväskylä 40014, Finland., Kent PRC; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Krogel JT; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Rubenstein BM; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2024 Sep 10; Vol. 20 (17), pp. 7416-7429. Date of Electronic Publication: 2024 Aug 22.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories.
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  Data: <searchLink fieldCode="AU" term="%22Iyer+GR%22">Iyer GR</searchLink>; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.<br /><searchLink fieldCode="AU" term="%22Whelpley+N%22">Whelpley N</searchLink>; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.<br /><searchLink fieldCode="AU" term="%22Tiihonen+J%22">Tiihonen J</searchLink>; Department of Physics, Nanoscience Center, University of Jyväskylä, Jyväskylä 40014, Finland.<br /><searchLink fieldCode="AU" term="%22Kent+PRC%22">Kent PRC</searchLink>; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.<br /><searchLink fieldCode="AU" term="%22Krogel+JT%22">Krogel JT</searchLink>; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.<br /><searchLink fieldCode="AU" term="%22Rubenstein+BM%22">Rubenstein BM</searchLink>; Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States.
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  Data: <searchLink fieldCode="JN" term="%22101232704%22">Journal of chemical theory and computation</searchLink> [J Chem Theory Comput] 2024 Sep 10; Vol. 20 (17), pp. 7416-7429. <i>Date of Electronic Publication: </i>2024 Aug 22.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1021/acs.jctc.4c00214
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      – Code: eng
        Text: English
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        StartPage: 7416
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      – TitleFull: Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories.
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              Text: 2024 Sep 10
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