Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2′-deoxyuridine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 92, Issue , 2012, Pages 406-414

  Çirak, Çaǧri ^a   Sert, Yusuf ^b   Ucun, Fatih ^c  

^a ERZINCAN UNIVERSITY   (Turkey)

^b BOZOK UNIVERSITY   (Turkey)

^c SULEYMAN DEMIREL UNIVERSITY   (Turkey)

Author keywords

Raman spectra; 5 Bromo 2 deoxyuridine; DFT; FT IR spectra; HF

Indexed keywords

AB - INITIO HARTREE-FOCK; B3LYP METHOD; BASIS SETS; BOND ANGLE; COMPUTATIONAL STUDIES; DENSITY FUNCTIONALS; DEOXYURIDINE; DFT; EXPERIMENTAL DATA; FT-IR SPECTRUM; GAUSSIANS; GEOMETRIC PARAMETER; HIGHEST OCCUPIED MOLECULAR ORBITAL; LOWEST UNOCCUPIED MOLECULAR ORBITAL; POTENTIAL ENERGY DISTRIBUTION; SOLID-PHASE; VIBRATIONAL ANALYSIS;

COMPUTATIONAL CHEMISTRY; HAFNIUM; QUANTUM CHEMISTRY; RAMAN SCATTERING;

DENSITY FUNCTIONAL THEORY;

BROXURIDINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

BROMODEOXYURIDINE; MODELS, MOLECULAR; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 84859527142     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.02.053     Document Type: Article

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