Thermal rate constants and kinetic isotope effects of the H + H2O2 reactions: barrier height and reaction energy from single- and multireference methods.

Autor:	Kano, Filipe Gustavo1 (AUTHOR), de Carvalho, Edson Firmino Viana2 (AUTHOR), Ferrão, Luiz Fernando Araújo1 (AUTHOR), Machado, Francisco Bolivar Correto1 (AUTHOR), Roberto-Neto, Orlando3 (AUTHOR) orlando@ieav.cta.br
Zdroj:	Journal of Molecular Modeling. May2024, Vol. 30 Issue 5, p1-11. 11p.
Databáze:	Academic Search Ultimate
Externí odkaz:	Zobrazit plný text záznamu Full text from SpringerLink