The role of the reaction force to characterize local specific interactions that activate the intramolecular proton transfers in DNA basis

Herrera, B.; Toro-Labbe, A

Abstract

The intramolecular proton transfer (PT) involving amino-imino and ketoenol tautomerism in DNA basis was studied through different structural, global, and local properties. The PT in adenine and cytosine was assisted by some degree of delocalization on the ring. The reaction force profiles were used that gives insights about the reaction mechanisms. Electron population analysis along the reaction coordinate indicated that the more noticeable changes on local bond populations occurs nearby the critical points of the force profile.

Más información

Título según WOS: The role of the reaction force to characterize local specific interactions that activate the intramolecular proton transfers in DNA basis
Título según SCOPUS: The role of the reaction force to characterize local specific interactions that activate the intramolecular proton transfers in DNA basis
Título de la Revista: JOURNAL OF CHEMICAL PHYSICS
Volumen: 121
Número: 15
Editorial: AMER INST PHYSICS
Fecha de publicación: 2004
Página de inicio: 7096
Página final: 7102
Idioma: English
DOI:

10.1063/1.1792091

Notas: ISI, SCOPUS