%0 Journal Article
%T A mathematical simulation and a numerical investigation of dynamics of intramolecular tautomerny transformation without considering processes of a proton relaxation. Part I. A description of a mathematical model
%A Kvitko G.
%A Kuzin E.
%A Latyshev §¬.
%A Shott D.
%J Vestnik Immanuel Kant Baltic Federal University
%D 2013
%I Immanuel Kant Baltic Federal University
%X There is a quantum statistical model of prototropic tautomeic transformation caused by vertical transition between different adiabatic potentials with two minima divided by potential barrier offered. Formula for the probability function defining time of tautomer transformation without regard to vibronic relaxation is received.
%K mathematical model
%K hydrogen binding
%K proton
%K Schr dinger equation
%K adiabatic model potentials
%K statistical operator
%K probability of tautomerny transformation
%U http://journals.kantiana.ru/upload/iblock/78b/D£¿D2D£¿£¿£¿DoD£¿%20D£¿.%20D£¿.,%20D£¿£¿£¿D¡¤D£¿D£¿%20D-.%20D£¿.,%20D£¿D¡ã£¿£¿£¿£¿£¿£¿D¦ÌD2%20D£¿.%20D£¿.,%20D£¿D2D¡ãD£¿D£¿D2%20D£¿.%20D£¿.,%20D¡§D£¿£¿£¿£¿£¿%20D£¿.%20D£¿._94-101.pdf