Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 11, 2003, Pages 2473-2486

  Palafox, M Alcolea ^a   Rastogi, V K ^b   Tanwar, R P ^b,c   Mittal, Lalit ^b  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b CH CHARAN SINGH UNIVERSITY   (India)

^c GGDSD College   (India)

Author keywords

2 Thiouracil; Scaling procedures; Uracil

Indexed keywords

COMPUTATIONAL METHODS; ERROR DETECTION; GEOMETRY; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY; SUBSTITUTION REACTIONS; SULFUR; VIBRATION MEASUREMENT;

BIOMOLECULES;

ORGANIC COMPOUNDS;

THIOURACIL;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY;

SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; THIOURACIL;

EID: 0041736680     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(02)00409-2     Document Type: Article

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