Self-consistent estimation of mean response functions and their derivatives

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 solvents—A combined SIBFA/continuum reaction field, ab initio self-consistent field, and density functional theory investigation

✍ Nohad Gresh; Gilles Tiraboschi; Dennis R. Salahub 📂 Article 📅 1998 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 286 KB 👁 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.