Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 64, Issue 1, 2006, Pages 57-67

  Gupta, V P ^a   Sharma, Archna ^a   Virdi, Ajit ^a   Ram, Vishnuji ^b  

^a UNIVERSITY OF JAMMU   (India)

^b CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

Ab initio calculations; Electronic transitions; ESP; Optimized geometries; Vibrational analysis

Indexed keywords

ATOMS; ELECTRIC POTENTIAL; ELECTROSTATICS; ULTRAVIOLET RADIATION;

AB INITIO CALCULATIONS; ELECTRONIC CHARGE DISTRIBUTION; ELECTRONIC TRANSITIONS; ESP; OPTIMIZED GEOMETRIES; PYRIMIDINE; QUANTUM CHEMICAL METHODS; VIBRATIONAL ANALYSIS;

SPECTROSCOPIC ANALYSIS;

2 AMINO 5 PHENYL 1,3,4 THIADIAZOLE; 2-AMINO-5-PHENYL-1,3,4-THIADIAZOLE; 4 CHLORO 2 METHYLSULFANYL 6 (2 THIENYL) PYRIMIDINE 5 CARBONITRILE; 4 CHLORO 2,6 DIMETHYLSULFANYL PYRIMIDINE 5 CARBONITRILE; 4-CHLORO-2,6-DIMETHYLSULFANYL PYRIMIDINE-5-CARBONITRILE; 4-CHLORO-2-METHYLSULFANYL-6-(2-THIENYL) PYRIMIDINE-5-CARBONITRILE; NITRILE; PYRIMIDINE DERIVATIVE; THIAZOLE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRICITY; INFRARED SPECTROSCOPY; ULTRAVIOLET SPECTROPHOTOMETRY;

ELECTROSTATICS; MOLECULAR STRUCTURE; NITRILES; PYRIMIDINES; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THIAZOLES;

EID: 33645977198     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.06.045     Document Type: Article

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