Journal
Scientific and technical journal of information technologies, mechanics and optics
UDK53.047
Issue:6 (76)
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THE ABSORPTION SPECTRUM OF RESTORED NICOTINAMIDE ADENINE DINUCLEOTIDE OBTAINED BY EXPERIMENT AND QUANTUM-CHEMICAL COMPUTATION
Annotation
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.
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