Hydrogen-bonding interaction of 1,2,3-triazine-waters complexes

Chinese Journal of Chemical Physics

Volumn 19, Issue 5, 2006, Pages 401-405

  Li, Quan ^a   Huang, Fang Qian ^a   Hu, Jing Dan ^a   Zhao, Ke Qing ^a  

^a SICHUAN NORMAL UNIVERSITY   (China)

Author keywords

1,2,3 triazine; Density functional theory; Hydrogen bond; Natural bond orbit; Vertical excitation

Indexed keywords

CHARGE TRANSFER; COMPLEXATION; DENSITY FUNCTIONAL THEORY; GROUND STATE; MOLECULES; MONOMERS; RED SHIFT;

1,2,3-TRIAZINE; HYDROGEN BONDING COMPLEXES; HYDROGEN BONDING INTERACTIONS; INTERMOLECULAR CHARGE TRANSFER; STRETCHING MODES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VERTICAL EXCITATION; VERTICAL EXCITATION ENERGY;

HYDROGEN BONDS;

EID: 33846004814     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1360/cjcp2006.19(5).401.5     Document Type: Article

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