Lowering of Reaction Rates by Energetically Favorable Hydrogen Bonding in the Transition State. Degradation of Biofuel Ketohydroperoxides by OH

Xing, Lili; Lian, Liuchao; Wang, Zhandong; Cheng, Zhanjun; He, Yunrui; Cui, Jintao; Truhlar, Donald G.

doi:10.1021/jacs.2c06124

Lowering of Reaction Rates by Energetically Favorable Hydrogen Bonding in the Transition State. Degradation of Biofuel Ketohydroperoxides by OH

Journal Article · 07 September 2022 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.2c06124· OSTI ID:1978498

^[1]; Lian, Liuchao ^[2]; ^[3]; ^[4]; He, Yunrui ^[2]; Cui, Jintao ^[2]; ^[5]

Energy and Power Engineering Institute, Henan University of Science and Technology, Luoyang 471003, Henan, China; Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States
Energy and Power Engineering Institute, Henan University of Science and Technology, Luoyang 471003, Henan, China
National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, Anhui, China
School of Environmental Science and Engineering, Tianjin University, Tianjin 300072, China
Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States

Not provided.

Research Organization:: Univ. of New Mexico, Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0015997

OSTI ID:: 1978498

Journal Information:: Journal of the American Chemical Society, Vol. 144, Issue 37; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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