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

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Chen, Wenqi, Zhang, Pengchao, Truhlar, Donald G., Zheng, Jingjing, Xu, Xuefei. 2022-11-28. 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. https://doi.org/10.1021/acs.jctc.2c00952

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