Mechanochemistry of degree two.

We simplify some proposed formulas for hydrostatic pressure on a molecule byG. Subramanian, N. Mathew and J. Leiding, J.Chem.Phys. 143, 134109 (2015). Weapply the formulas to an artificial triatom ABC whose potential energy surface isformed by a combination of Morse curves.

Detalhes bibliográficos
Autores: Quapp, Wolfgang, Bofill i Villà, Josep M.
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Recursos:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/222204
Acesso em linha:https://hdl.handle.net/2445/222204
Access Level:acceso abierto
Palavra-chave:Mecanismes de reacció (Química)
Mecànica
Reaction mechanisms (Chemistry)
Mechanics
Descrição
Resumo:We simplify some proposed formulas for hydrostatic pressure on a molecule byG. Subramanian, N. Mathew and J. Leiding, J.Chem.Phys. 143, 134109 (2015). Weapply the formulas to an artificial triatom ABC whose potential energy surface isformed by a combination of Morse curves.