Determining Rate Coefficients for the 11-Atom Reaction via Ring Polymer Molecular Dynamics Based on a 27-Dimensional Potential Energy Surface: The Reaction between anti-CH3CHOO and H2O.
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| Title: | Determining Rate Coefficients for the 11-Atom Reaction via Ring Polymer Molecular Dynamics Based on a 27-Dimensional Potential Energy Surface: The Reaction between anti-CH |
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| Authors: | Liu L; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China.; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China., Fu Y; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China., Wu H; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China., Lu X; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.; Interdisciplinary Research Center for Biology and Chemistry, Liaoning Normal University, Dalian 116029, China., Dong W; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.; Hefei National Laboratory, Hefei 230088, China.; University of Chinese Academy of Sciences, Beijing 100049, China., Wang X; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China.; Hefei National Laboratory, Hefei 230088, China., Zhang DH; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.; Hefei National Laboratory, Hefei 230088, China.; University of Chinese Academy of Sciences, Beijing 100049, China., Fu B; State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.; Hefei National Laboratory, Hefei 230088, China.; University of Chinese Academy of Sciences, Beijing 100049, China. |
| Source: | The journal of physical chemistry letters [J Phys Chem Lett] 2025 Jan 16; Vol. 16 (2), pp. 460-467. Date of Electronic Publication: 2025 Jan 01. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101526034 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7185 (Electronic) Linking ISSN: 19487185 NLM ISO Abbreviation: J Phys Chem Lett Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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