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Polyrate 2023: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics. New Version Announcement

Ruben Meana-Paneda,Jingjing Zheng,Junwei Lucas Bao, Shuxia Zhang,Benjamin J. Lynch,Jose C. Corchado,Yao-Yuan Chuang,Patton L. Fast,Wei-Ping Hu,Yi-Ping Liu,Gillian C. Lynch,Kiet A. Nguyen,Charles F. Jackels,Antonio Fernandez-Ramos,Benjamin A. Ellingson,Vasilios S. Melissas,Jordi Villa,Ivan Rossi,Elena L. Coitino,Jingzhi Pu,Titus V. Albu,Rui Ming Zhang,Xuefei Xu,Artur Ratkiewicz,Rozeanne Steckler,Bruce C. Garrett,Alan D. Isaacson,Donald G. Truhlar

Computer Physics Communications（2023）

Cited 7|Views50
Key words
Chemical reaction rates,Stationary-point analysis,Reaction path,Variational transition state theory,Multidimensional tunneling,Kinetics,Surface science,Pressure dependence
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