Direct ab Initio Dynamics Calculations of Thermal Rate Constants and Kinetic Isotope Effects for the H + H2O .tautm. OH + H2 Reaction

Autor:	Tom J. Evans, Thanh N. Truong
Rok vydání:	1994
Předmět:	Reaction rate constant Chemistry Computational chemistry Thermal Dynamics (mechanics) Kinetic isotope effect General Engineering Ab initio Physical and Theoretical Chemistry Kinetic energy
Zdroj:	The Journal of Physical Chemistry. 98:9558-9564
ISSN:	1541-5740 0022-3654
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::47a7b2da80aef48870b9837d395c4c33 https://doi.org/10.1021/j100089a032 Zobrazit plný text záznamu