TUMME: Tsinghua university Minnesota master equation program

DOI10.1016/J.CPC.2021.108140OpenAlexW3197874640MaRDI QIDQ6162801FDOQ6162801

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

• Title not available (Why is that?)
• Title not available (Why is that?)
• MSTor: a program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity

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