Quasi-classical trajectory study of the OH− + CH3I reaction: theory meets experiment

Autor:	Domonkos A. Tasi, Tim Michaelsen, Roland Wester, Gábor Czakó
Rok vydání:	2023
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 25:4005-4014
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d2cp05553h
Popis:	Dynamics of the OH− + CH3I reaction is studied using a high-level ab initio analytical potential energy surface and the quasi-classical trajectory method allowing direct comparison with crossed-beam experiments.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::eab7fe746d1d70ec96edbb9a6892b97a https://doi.org/10.1039/d2cp05553h Zobrazit plný text záznamu