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A Continuum Reaction Field Theory of Polarizable, Nondipolar, Quadrupolar Solvents: Ab Initio Study of Equilibrium Solvation in Benzene

✍ Scribed by Jonggu Jeon; Hyung J. Kim

Book ID
110315910
Publisher
Springer US
Year
2001
Tongue
English
Weight
66 KB
Volume
30
Category
Article
ISSN
0095-9782

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πŸ“œ SIMILAR VOLUMES

Conformational properties of a model ala
Conformational properties of a model alanyl dipeptide and of alanine-derived oligopeptides: Effects of solvation in water and in organic solventsβ€”A combined SIBFA/continuum reaction field, ab initio self-consistent field, and density functional theory investigation
✍ 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.