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. |
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| 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 |
| ISSN: | 1549-9626 |
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| DOI: | 10.1021/acs.jctc.4c00214 |
