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MSTor 2023: A new version of the computer code for multistructural torsional anharmonicity, now with automatic torsional identification using redundant internal coordinates

Wenqi Chen, Jingjing Zheng, Junwei Lucas Bao, Donald G. Truhlar, Xuefei Xu

2023Computer Physics Communications41 citationsDOIOpen Access PDF

Topics & Concepts

FortranAnharmonicityComputer scienceComputer programAlgorithmPhysicsQuantum mechanicsProgramming languageChemical Thermodynamics and Molecular StructureAdvanced Chemical Physics StudiesHigh-pressure geophysics and materials
MSTor 2023: A new version of the computer code for multistructural torsional anharmonicity, now with automatic torsional identification using redundant internal coordinates | Litcius