𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Polarization effects in molecular interactions

✍ Scribed by F. Javier Luque; François Dehez; Christophe Chipot; Modesto Orozco


Book ID
112232677
Publisher
Wiley (John Wiley & Sons)
Year
2011
Tongue
English
Weight
166 KB
Volume
1
Category
Article
ISSN
1759-0876

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Polarization effects in generalized mole
✍ Luque, F. Javier; Orozco, Modesto 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 352 KB 👁 1 views

A strategy to introduce multipole-induced polarization effects into quantum mechanical particles is presented. The strategy takes advantage of perturbation theory, and allows one to introduce polarization effects into the Ž . generalized molecular interaction potential GMIP previously defined by our

Intramolecular interaction energies in m
✍ Nohad Gresh; Sherif A. Kafafi; Jean-François Truchon; Dennis R. Salahub 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 189 KB

An extension of the SIBFA polarizable molecular mechanics procedure to flexible oligopeptides is reported. The procedure is evaluated by computing the relative conformational energies, deltaE(conf), of the alanine tetrapeptide in 10 representative conformations, which were originally derived by Beac