Probing ab initio MP2 approach towards the prediction of vibrational infrared spectra of DNA base pairs

Journal of Molecular Structure

Volumn 744-747, Issue SPEC. ISS., 2005, Pages 19-34

  Podolyan, Yevgeniy ^a   Nowak, Maciej J ^b   Lapinski, Leszek ^b   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b INSTITUTE OF PHYSICS   (Poland)

Author keywords

DNA base pairs; IR spectra; Vibrational frequencies

Indexed keywords

COMPUTATIONAL METHODS; CORRELATION METHODS; ELECTRONS; INFRARED SPECTROSCOPY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; RELIABILITY;

BASE PAIRS; ELECTRON CORRELATION; HARTREE-FOCK LEVELS; MØLLER-PLESSET SECOND-ORDER PERTURBATION THEORY (MP2);

DNA;

EID: 19344373787     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.11.020     Document Type: Conference Paper

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