THE ABSORPTION SPECTRUM OF RESTORED NICOTINAMIDE ADENINE DINUCLEOTIDE OBTAINED BY EXPERIMENT AND QUANTUM-CHEMICAL COMPUTATION

Kon`kova Elena Petrovna

2011 , VOLUME 11, NUMBER 6 ( NOVEMBER-DECEMBER )

ISSN 2226-1494 (print), ISSN 2500-0373 (online)

Publications

Editor-in-Chief

Nikiforov
Vladimir O.
D.Sc., Prof.

Partners

THE ABSORPTION SPECTRUM OF RESTORED NICOTINAMIDE ADENINE DINUCLEOTIDE OBTAINED BY EXPERIMENT AND QUANTUM-CHEMICAL COMPUTATION

E. P. Kon`kova

Read the full article

Abstract

Ab initiocomputation of the absorption spectrum of restored nicotinamide adenine dinucleotide is carried out in the present work. Spectra of the coenzyme segments were calculated by the semi empirical method. Comparison of results obtained by semi empirical and ab initio methods shows that simplification (division into segments) does not give essential error. Calculation and experimental data are in good agreement.The division of complex organic molecules into segments is useful in terms of computation time decrease.

Keywords: adenine, nicotinamide, NADN, absorption spectrum, ab initio and semi empirical methods.

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License