Conformational stability, optimized geometries, vibrational and electronic spectra of methacryloyl bromide in ground and excited electronic states

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 1-2, 2004, Pages 311-320

  Sharma, Archna ^a   Gupta, V P ^a   Virdi, Ajit ^a  

^a UNIVERSITY OF JAMMU   (India)

Author keywords

Ab initio calculations; Conformational analysis; Electronic transitions; Methacryloyl bromide; Optimized geometries; Vibrational analysis

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; CORRELATION METHODS; ELECTRON TRANSITIONS; GROUND STATE; ISOMERS; MOLECULAR VIBRATIONS; OPTIMIZATION; OSCILLATORS (ELECTRONIC); POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SPECTROSCOPY;

BOND LENGTHS; VIBRATIONAL SPECTRA;

BROMINE COMPOUNDS;

4 METHACYLAMIDE BENZOPHENONE; 4-METHACYLAMIDE BENZOPHENONE; ACRYLAMIDE DERIVATIVE; BENZOPHENONE DERIVATIVE; BROMIDE; ION;

ARTICLE; CHEMISTRY; ELECTRON; METHODOLOGY; PROTEIN CONFORMATION; SPECTROPHOTOMETRY; THEORETICAL MODEL; THERMODYNAMICS;

ACRYLAMIDES; BENZOPHENONES; BROMIDES; ELECTRONS; IONS; MODELS, THEORETICAL; PROTEIN CONFORMATION; SPECTROPHOTOMETRY; THERMODYNAMICS;

EID: 0344740836     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00254-3     Document Type: Article

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