DFT conformational studies of the HI-6 molecule

International Journal of Quantum Chemistry

Volumn 105, Issue 3, 2005, Pages 260-269

  Silva, Gustavo R ^a   Borges Jr , Itamar ^a   Figueroa Villar, Jose D ^a  

^a MILITARY INSTITUTE OF ENGINEERING   (Brazil)

Author keywords

B3LYP; Conformational analysis; DFT; HI 6

Indexed keywords

CONFORMATIONS; ELECTROSTATICS; ISOMERS; MOLECULAR DYNAMICS; RESONANCE; ROTATION;

B3LYP; CONFORMATIONAL ANALYSIS; DFT; HI-6;

PROBABILITY DENSITY FUNCTION;

EID: 27744534918     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20700     Document Type: Article

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