Periodic ab initio approach for the cooperative effect of CH/π interaction in crystals: Relative energy of CH/π and hydrogen-bonding interactions

Journal of the American Chemical Society

Volumn 127, Issue 43, 2005, Pages 15054-15060

  Kobayashi, Yuka ^a   Saigo, Kazuhiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; COLUMN CHROMATOGRAPHY; COMPUTATIONAL METHODS; HYDROGEN BONDS; IONIC CONDUCTION; MOLECULAR DYNAMICS; PACKING;

AB INITIO METHOD; BONDING PROPERTY; GAS PHASE; PACKING ENERGY;

CRYSTALLINE MATERIALS;

AROMATIC COMPOUND; CARBON; HYDROGEN; ORGANIC COMPOUND;

AB INITIO CALCULATION; ARTICLE; ATOM; CRYSTAL; DISSOLUTION; ENERGY; GAS; HYDROGEN BOND; IONIZATION; MOLECULAR INTERACTION; PERIODICITY; SURFACE CHARGE;

EID: 27544482369     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0434580     Document Type: Article

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