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Density Functional Vertical Self-Consistent Reaction Field Theory for Solvatochromism Studies of Solvent-Sensitive Dyes

✍ Scribed by Liu, Tiqing; Han, Wen-Ge; Himo, Fahmi; Ullmann, G. Matthias; Bashford, Donald; Toutchkine, Alexei; Hahn, Klaus M.; Noodleman, Louis


Book ID
121434338
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
243 KB
Volume
108
Category
Article
ISSN
1089-5639

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Conformational properties of a model ala
✍ Nohad Gresh; Gilles Tiraboschi; Dennis R. Salahub πŸ“‚ Article πŸ“… 1998 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 286 KB πŸ‘ 2 views

A f/c conformational energy map of a model alanyl dipeptide is first drawn using the SIBFA (Sum of Interactions Between Fragments Ab initio computed) procedure [N. Gresh, P. Claverie and A.