TUMME: Tsinghua university Minnesota master equation program

DOI10.1016/J.CPC.2021.108140MaRDI QIDQ6162801zbMATH OpenOpenAlexFDO

Authors Ruiming Zhang, Xuefei Xu, Donald G. Truhlar

Publication date 16 June 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2021.108140

zbMATH Keywords

master equationtunnelingchemical kineticsreaction mechanismsvariational transition state theorytorsional anharmonicitychemically significant eigenmodes

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX) Quantum theory (81-XX)

Cites work

• scientific article; zbMATH DE number 2194270 (Why is no real title available?)
• scientific article; zbMATH DE number 3091796 (Why is no real title available?)
• MSTor: a program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity

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