Automated Variable Electric-Field DFT Application for Evaluation of Optimally Oriented Electric Fields on Chemical Reactivity.

Hanaway, Dalton J; Kennedy, C Rose.

Hanaway DJ; Department of Chemistry, University of Rochester, Rochester, New York14627, United States.
Kennedy CR; Department of Chemistry, University of Rochester, Rochester, New York14627, United States.

J Org Chem ; 88(1): 106-115, 2023 Jan 06.

Article en En | MEDLINE | ID: mdl-36507909

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article