Hydrogen bonding and solvent effects on the lowest 1(n, π*) excitations of triazines in water

Journal of Computational Chemistry

Volumn 25, Issue 6, 2004, Pages 813-822

  Zeng, Jun ^a,b   Xie, Daiqian ^c  

^a LA TROBE UNIVERSITY   (Australia)

^b Cytopia Ltd   (Australia)

^c NANJING UNIVERSITY   (China)

Author keywords

Computer simulations; Electronic spectroscopy; Solvent effect; Triazines

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; EMISSION SPECTROSCOPY; GROUND STATE; MOLECULAR STRUCTURE; MONTE CARLO METHODS; ORGANIC SOLVENTS; SOLUTIONS; WATER;

EXCITED STATE; SOLVENT EFFECT; TRIAZINE;

HYDROGEN BONDS;

EID: 1942423130     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20017     Document Type: Article

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