Transferability and physicochemical interpretation of canonical force fields in redundant internal coordinates: Pyridazine and 3,6-dichloropyridazine

Journal of Physical Chemistry A

Volumn 105, Issue 41, 2001, Pages 9354-9365

  Vazquez, J ^a   Lopez Gonzalez, Juan J ^b   Marquez, Fernando ^c   Torres, Emilio Martinez ^c   Boggs, James E ^a  

^a UNIVERSITY OF JAÉN   (Spain)

^b UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CHEMICAL BONDS; ELECTRONIC STRUCTURE; LEAST SQUARES APPROXIMATIONS; QUANTUM THEORY;

PHYSICOCHEMICAL INTERPRETATIONS;

MOLECULAR DYNAMICS;

EID: 0035909752     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010456i     Document Type: Article

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