Dynamic Quantum Isotope Effects on Multiple Proton-Transfer Reactions

Autor:	Kimihiko Hirao, Hideaki Miyachi, Toru Matsui, Yasuteru Shigeta
Rok vydání:	2008
Předmět:	Proton Chemistry Chemical physics Nuclear Theory Kinetic isotope effect Potential energy hypersurface General Chemistry Atomic physics Nonlinear Sciences::Cellular Automata and Lattice Gases Nuclear Experiment Stability (probability) Quantum
Zdroj:	Bulletin of the Chemical Society of Japan. 81:1230-1240
ISSN:	1348-0634 0009-2673
Popis:	In order to investigate static quantum isotope effects on the stability of proton-transferred structures, we defined an effective quantal potential energy hypersurface (EQPES), which includes mass-...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c631b0f6b8acd0ca2f3b29cab4f48c84 https://doi.org/10.1246/bcsj.81.1230 Zobrazit plný text záznamu