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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

COMPUTER PHYSICS COMMUNICATIONS(2023)

Cited 15|Views31
Key words
Complex molecules,Coupled torsional potential,Internal coordinates,Multistructural method,Partition functions,Thermochemistry,Torsional anharmonicity,Torsional identification
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