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The last 5 uploaded publications
Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2
Qinghui Meng, Yinan Shu, Zoltán Varga, Dayou Zhang, Donald G Truhlar (2025). Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2. , DOI: https://doi.org/10.26434/chemrxiv-2025-9bvmr.
Article11 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.
Preprint11 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.
Article11 days agoLearning Multiple Potential Energy Surfaces by Automated Discovery of a Compatible Representation
Yinan Shu, Zoltán Varga, Dayou Zhang, Qinghui Meng, Aiswarya M. Parameswaran, Jian‐Ge Zhou, Donald G Truhlar (2025). Learning Multiple Potential Energy Surfaces by Automated Discovery of a Compatible Representation. , 21(7), DOI: https://doi.org/10.1021/acs.jctc.5c00178.
Article11 days agoKinetics and Mechanism of the Singlet Oxygen Atom Reaction with Dimethyl Ether
Hongtao Zhong, Qinghui Meng, Bowen Mei, Andy Thawko, Chao Yan, Ning Liu, Xingqian Mao, Ziyu Wang, Gerard Wysocki, Donald G Truhlar, Yiguang Ju (2024). Kinetics and Mechanism of the Singlet Oxygen Atom Reaction with Dimethyl Ether. , 15(23), DOI: https://doi.org/10.1021/acs.jpclett.4c00907.
Article11 days ago