Calculation of Rate Constants for Proton Transfer between Tethered Oxygens

Autor:	Alan D. Isaacson, Boonchuan Immaraporn
Rok vydání:	1998
Předmět:	Reaction rate constant Proton Chemistry Transfer (computing) Order (group theory) Thermodynamics Physics::Chemical Physics Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A. 102:181-187
ISSN:	1520-5215 1089-5639
Popis:	To model proton transfer in biological systems, we consider a modified H5O2+ system, in which each of the two outermost hydrogens (H*) is assigned a large mass in order to represent a backbone. For...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2aeca8d5cfe0c28584df852b81485bf7 https://doi.org/10.1021/jp972722r Zobrazit plný text záznamu