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Solvent effects on the electronic absorption spectrum of formamide studied by a sequential Monte Carlo/quantum mechanical approach

โœ Scribed by W. R. Rocha; V. M. Martins; K. Coutinho; S. Canuto

Publisher
Springer
Year
2002
Tongue
English
Weight
135 KB
Volume
108
Category
Article
ISSN
1432-2234

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4 hfonte Carlo method 1s devrsed for the study cf systems which have a few quantum degrees of freedom coupled to many essentrally chss~cal coordinates The densrty dependence of the solvent-Induced shrfts m the vibratronal spectrum IS mvesn-@ted for ;1 dntomlc (I&) &solved m ZI monatonuc flurd (Ar).