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Comparing the Performances of Force Fields in Conformational Searching of Hydrogen-Bond-Donating Catalysts.
Lewis-Atwell, Toby; Townsend, Piers A; Grayson, Matthew N.
Afiliação
  • Lewis-Atwell T; Department of Computer Science, University of Bath, Claverton Down, Bath BA2 7AY, U.K.
  • Townsend PA; Centre for Sustainable Chemical Technologies, University of Bath, Claverton Down, Bath BA2 7AY, U.K.
  • Grayson MN; Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY, U.K.
J Org Chem ; 87(9): 5703-5712, 2022 05 06.
Article em En | MEDLINE | ID: mdl-35476461

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Hidrogênio Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Hidrogênio Idioma: En Ano de publicação: 2022 Tipo de documento: Article