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Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions

2022-01-01
Chen, W.; Zhang, P.; Truhlar, D. G.; Zheng, J.; Xu, X.*
J. Chem. Theory Comput. (2022),18, 7671-7682. DOI: https://doi.org/10.1021/acs.jctc.2c00952

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