Generation of Kekulé valence structures and the corresponding valence bond wave function

Journal of Computational Chemistry

Volumn 32, Issue 4, 2011, Pages 696-708

  Rashid, Zahid ^a   Van Lenthe, Joop H ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

(poly)cyclic conjugated systems; computer algorithm; generation of Kekul valence structures; Kekul valence structures; valence Bond Method

Indexed keywords

COMPUTER ALGORITHM; CONJUGATED SYSTEMS; IONIC STRUCTURE; ORBITALS; PENTALENES; RECURSIVE ALGORITHMS; VALENCE BONDS; VALENCE STRUCTURE; VALENCE-BOND METHOD;

ALGORITHMS; BENZENE; NAPHTHALENE; WAVE FUNCTIONS;

MOLECULAR GRAPHICS;

EID: 79251493017     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21655     Document Type: Article

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