Optical Configuration Effect on the Structure and Reactivity of Diastereomers Revealed by Spin Effects and Molecular Dynamics Calculations.

Autor: Ageeva AA; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia.; Department of Natural Sciences, Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russia., Doktorov AB; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia., Selyutina OY; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia., Magin IM; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia.; Department of Natural Sciences, Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russia., Ilyina MG; Ufa Institute of Chemistry, Ufa Federal Research Centre of the Russian Academy of Sciences, 450054 Ufa, Russia., Borisevich SS; Ufa Institute of Chemistry, Ufa Federal Research Centre of the Russian Academy of Sciences, 450054 Ufa, Russia.; The Institute of Problems of Chemical Physics of the Russian Academy of Sciences, 142432 Chernogolovka, Russia., Rubtsov RY; The Institute of Problems of Chemical Physics of the Russian Academy of Sciences, 142432 Chernogolovka, Russia., Khursan SL; Ufa Institute of Chemistry, Ufa Federal Research Centre of the Russian Academy of Sciences, 450054 Ufa, Russia., Stepanov AA; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia., Vasilevsky SF; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia., Polyakov NE; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia.; Department of Natural Sciences, Department of Physics, Novosibirsk State University, 630090 Novosibirsk, Russia., Leshina TV; Voevodsky Institute of Chemical Kinetics and Combustion, 630090 Novosibirsk, Russia.

Publikováno v: International journal of molecular sciences [Int J Mol Sci] 2021 Dec 21; Vol. 23 (1). Date of Electronic Publication: 2021 Dec 21.