Tunneling in the Oxidative Addition Reaction of Methane to a Bare Palladium Atom

Autor:	Eugene M. Myshakin, V. M. Mamaev, Sergey Ya. Ishchenko, Igor P. Gloriozov, Vahan V. Simonyan, Yury A. Ustynyuk, Andrew V. Prisyajnyuk
Rok vydání:	1995
Předmět:	General Chemistry Kinetic energy Oxidative addition Methane chemistry.chemical_compound symbols.namesake Reaction rate constant chemistry Computational chemistry Kinetic isotope effect symbols Physical chemistry Hamiltonian (quantum mechanics) Quantum Quantum tunnelling
Zdroj:	Mendeleev Communications. 5:137-138
ISSN:	0959-9436
DOI:	10.1070/mc1995v005n04abeh000494
Popis:	Quantum rate constant evaluations and kinetic isotope effects for the oxidative addition of CH 4 (and CD 4 ) to a bare Pd atom, calculated in terms of the Reaction Path Hamiltonian approximation, show quantum tunneling to play a very important role in the process when T
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::aef8be0b0a7723761aeefa36e4833f84 https://doi.org/10.1070/mc1995v005n04abeh000494 Zobrazit plný text záznamu Full Text from ScienceDirect