Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model

Author: Aquilante Francesco   Cossi Maurizio   Crescenzi Orlando   Scalmani Giovanni   Barone Vincenzo  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.101, Iss.13, 2003-07, pp. : 1945-1953

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Abstract