On the importance of configurational sampling in theoretical calculation of electronic properties of complex molecular systems: Acetone in water

Chemical Physics Letters

Volumn 424, Issue 4-6, 2006, Pages 289-294

  D'Abramo, M ^a   Aschi, M ^b   Di Nola, A ^a   Amadei, Andrea ^c  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF L'AQUILA   (Italy)

^c UNIVERSITY OF ROME TOR VERGATA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ACETONE; ELECTRIC EXCITATION; FREE ENERGY; MATRIX ALGEBRA; SOLUTIONS; WATER;

ABSORPTION SPECTRA; AQUEOUS ENVIRONMENT; COMPLEX MOLECULAR SYSTEMS; CONFIGURATIONAL SAMPLING;

MOLECULAR DYNAMICS;

EID: 33745010649     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.04.062     Document Type: Article

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