Density functional calculation of structure and vibrational spectra of polyenes

Journal of Chemical Physics

Volumn 110, Issue 2-12, 1999, Pages 3241-3250

  Schettino, Vincenzo ^a   Gervasio, Francesco Luigi ^a   Cardini, Gianni ^a   Salvi, Pier Remigio ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; KINETIC ENERGY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SPECTROSCOPIC ANALYSIS;

DENSITY FUNCTIONAL THEORY; NODAL ANALYSIS; POLYENES; POLYENIC CLUSTERS;

OLEFINS;

EID: 0033534878     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477847     Document Type: Article

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