MSTor 2023: A New Version of the Computer Code for Multistructural Torsional Anharmonicity, Now with Automatic Torsional Identification Using Redundant Internal Coordinates
COMPUTER PHYSICS COMMUNICATIONS(2023)
Key words
Complex molecules,Coupled torsional potential,Internal coordinates,Multistructural method,Partition functions,Thermochemistry,Torsional anharmonicity,Torsional identification
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