An explicit quantum chemical method for modeling large solvation shells applied to aminocoumarin C151

Journal of Physical Chemistry A

Volumn 109, Issue 34, 2005, Pages 7805-7814

  Neugebauer, Johannes ^a   Jacob, Christoph R ^a   Wesolowski, Tomasz A ^b   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; POLARIZATION; QUANTUM THEORY;

EXCITATION ENERGY; FROZEN DENSITY; MOLECULAR DYNAMICS (MD) SIMULATION; QUANTUM CHEMICAL METHOD;

ABSORPTION;

EID: 24944551998     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0528764     Document Type: Article

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