Regularities in energies and geometries of biaryls: An ab initio electronic structure study

Journal of Physical Chemistry

Volumn 100, Issue 50, 1996, Pages 19333-19335

  Ciosłowski, Jerzy ^a   Piskorz, Pawel ^a   Liu, Guanghua ^a   Moncrieff, David ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; GEOMETRY; HYDROCARBONS; MOLECULAR DYNAMICS; STABILITY;

AB INITIO CALCULATIONS; BIARYLS; BOND LENGTHS; INTERMOIETY TWIST ANGLES; ISOENERGETIC COMPOUNDS;

ORGANIC COMPOUNDS;

EID: 0030402583     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961298b     Document Type: Article

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