An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers

  1. Ferro-Costas, D.
  2. Cordeiro, M.N.D.S.
  3. Fernández-Ramos, A.
Revista:
Physical chemistry chemical physics : PCCP

ISSN: 1463-9084

Ano de publicación: 2022

Volume: 24

Número: 5

Páxinas: 3043-3058

Tipo: Artigo

DOI: 10.1039/D1CP03928H GOOGLE SCHOLAR