Theoretical investigation on H abstraction reaction mechanisms and rate constants of Isoflurane with the OH radical

Hongjiang RenKey Laboratory for Surface Engineering and Remanufacturing of Shaanxi Province, School of Chemical Engineering, Xi'an University, Xi'an, China;Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing, ChinaCorrespondence[email protected] [email protected]
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Xiaojun LiKey Laboratory for Surface Engineering and Remanufacturing of Shaanxi Province, School of Chemical Engineering, Xi'an University, Xi'an, ChinaCorrespondence[email protected] [email protected]
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Liyan Ni, Xin Xin, Yuping Wang & Dunyou Wang. (2020) Quantum dynamics study of isotope effects of the OD/OH + CH3 reactions. Molecular Physics 118:15.
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Hongjiang Ren, Gang Zhu, Jiangtao Li & Juxiang Yang. (2022) Atmospheric chemistry of sevoflurane radical: A degradation reaction mechanism in the presence of NO from a theoretical perspective. Computational and Theoretical Chemistry 1212, pages 113706.
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E. Lange, F. Ferreira da Silva, N.C. Jones, S.V. Hoffmann, D. Duflot & P. Limão-Vieira. (2019) The lowest-lying electronic states of isoflurane and sevoflurane in the 5.0–10.8 eV energy range investigated by experimental and theoretical methods. Chemical Physics Letters 716, pages 42-48.
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Hongjiang Ren, Xiaojun Li, Yingjuan Qu & Feng Li. (2018) Theoretical investigation on H abstraction reaction mechanisms and rate constants of sevoflurane with the OH radical. Chemical Physics Letters 692, pages 345-352.
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Hongjiang Ren, Jing Song, Xiaojun Li & Yan Liu. (2016) A new insight of degradation reaction mechanism on desflurane radical with a catalyst of NO: A theoretical perspective. Chemical Physics Letters 658, pages 168-175.
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Theoretical investigation on H abstraction reaction mechanisms and rate constants of Isoflurane with the OH radical

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Theoretical investigation on H abstraction reaction mechanisms and rate constants of Isoflurane with the OH radical

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