Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels-Alder Reaction.

Ito, Takuma; Maeda, Satoshi; Harabuchi, Yu.

Afiliación

Ito T; Graduate School of Chemical Sciences and Engineering, Hokkaido University, Sapporo 060-8628, Japan.
Maeda S; Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810, Japan.
Harabuchi Y; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan.

J Chem Theory Comput ; 18(3): 1663-1671, 2022 Mar 08.

Article en En | MEDLINE | ID: mdl-35099971

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article