𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Improved convergence of the ‘atoms in molecules’ multipole expansion of electrostatic interaction

✍ Scribed by JOUBERT, L.; POPELIER, P. L. A.


Book ID
127061768
Publisher
Taylor and Francis Group
Year
2002
Tongue
English
Weight
804 KB
Volume
100
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Intramolecular electrostatic interaction
✍ Krzysztof Strasburger; W.Andrzej Sokalski 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 550 KB

A novel approach allowing the estimation of intramolecular electrostatic interactions has been applied to evaluate torsional barriers for model HO-OH, CHs-CHs and HsFSi-SiFHa systems. Interactions between rotated fragments have been estimated from cumulative atomic multipole moments (CAMM) calculate