Turtle - A gradient VBSCF program theory and studies of aromaticity

Theoretical and Computational Chemistry

Volumn 10, Issue , 2002, Pages 79-116

  Van Lenthe, Joop H ^a   Dijkstra, Fokke ^a   Havenith, Remco W A ^a  

^a UTRECHT UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

1,3 BUTADIENE; ALCOHOL DERIVATIVE; AROMATIC COMPOUND; BENZENE; CARBON; CARBOXYLIC ACID; POLYCYCLIC AROMATIC HYDROCARBON; PYRENE DERIVATIVE;

AB INITIO CALCULATION; ACCELERATION; ACIDITY; ALGORITHM; ANALYTIC METHOD; CALCULATION; CHEMICAL STRUCTURE; COMPUTER ANALYSIS; COMPUTER PROGRAM; COVALENT BOND; DENSITY; ELECTRON; ENERGY; EVALUATION; GEOMETRY; MATHEMATICAL ANALYSIS; PARAMETER; REVIEW; STRUCTURE ANALYSIS;

EID: 0036926233     PISSN: 13807323     EISSN: None     Source Type: Book Series    
DOI: 10.1016/s1380-7323(02)80005-x     Document Type: Review

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