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The last 5 uploaded publications
Observing Intramolecular Vibrational Energy Redistribution via the Short-Time Fourier Transform
Ruiming Zhang, Xuefei Xu, Donald G Truhlar (2022). Observing Intramolecular Vibrational Energy Redistribution via the Short-Time Fourier Transform. , 126(19), DOI: https://doi.org/10.1021/acs.jpca.1c09905.
Article25 days agoImprovement of Fourteen Coupled Global Potential Energy Surfaces of 3A′ States of O + O2
Xiaorui Zhao, Yinan Shu, Qinghui Meng, Jie J. Bao, Xuefei Xu, Donald G Truhlar (2025). Improvement of Fourteen Coupled Global Potential Energy Surfaces of 3A′ States of O + O2. , DOI: https://doi.org/10.26434/chemrxiv-2025-zlkz5.
Preprint25 days agoImprovement of Fourteen Coupled Global Potential Energy Surfaces of <sup>3</sup> <i>A′</i> States of O + O <sub>2</sub>
Xiaorui Zhao, Yinan Shu, Qinghui Meng, Jie J. Bao, Xuefei Xu, Donald G Truhlar (2025). Improvement of Fourteen Coupled Global Potential Energy Surfaces of <sup>3</sup> <i>A′</i> States of O + O <sub>2</sub>. , 129(13), DOI: https://doi.org/10.1021/acs.jpca.5c00464.
Article25 days agoIdentification 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.
Article25 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.
Article25 days ago