Calculation of normal vibrations of chlorin by the method of density functionals

Journal of Applied Spectroscopy

Volumn 71, Issue 3, 2004, Pages 307-319

  Berezin, K V ^a   Nechaev, V V ^a  

^a SARATOV STATE UNIVERSITY   (Russian Federation)

Author keywords

chlorin; dependent coordinates; force field; IR spectrum; quantum chemical calculation; structure; wavenumber linear scaling method

Indexed keywords

CHLORINE; PORPHYRIN DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDROGENATION; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; OSCILLATORY POTENTIAL; PHASE TRANSITION; QUANTUM CHEMISTRY; QUANTUM MECHANICS;

EID: 4444270085     PISSN: 00219037     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:JAPS.0000039955.36933.0d     Document Type: Article

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