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The last 5 uploaded publications
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
Wenqi Chen, Pengchao Zhang, Donald G Truhlar, Jingjing Zheng, Xuefei Xu (2022). 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. , 18(12), DOI: https://doi.org/10.1021/acs.jctc.2c00952.
Article51 days agoMaster equation study of hydrogen abstraction from HCHO by OH <i>via</i> a chemically activated intermediate
Ruiming Zhang, Wenqi Chen, Donald G Truhlar, Xuefei Xu (2022). Master equation study of hydrogen abstraction from HCHO by OH <i>via</i> a chemically activated intermediate. , 238(0), DOI: https://doi.org/10.1039/d2fd00024e.
Article51 days agoCorrection to “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”
Wenqi Chen, Pengchao Zhang, Donald G Truhlar, Jingjing Zheng, Xuefei Xu (2023). Correction to “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”. , 19 (9), DOI: https://doi.org/10.1021/acs.jctc.3c00272.
Corrigendum50 days agoMSTor 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 (2023). MSTor 2023: A new version of the computer code for multistructural torsional anharmonicity, now with automatic torsional identification using redundant internal coordinates. , 288, DOI: https://doi.org/10.1016/j.cpc.2023.108740.
Article50 days ago