ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations

  1. Shannon, R.J.
  2. Martínez-Núñez, E.
  3. Shalashilin, D.V.
  4. Glowacki, D.R.
Revista:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Ano de publicación: 2021

Volume: 17

Número: 8

Páxinas: 4901-4912

Tipo: Artigo

DOI: 10.1021/ACS.JCTC.1C00335 GOOGLE SCHOLAR
Fonte de datos: Scopus