𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The definitions of charge and the invariance of charge

✍ Scribed by T. Ivezić

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
757 KB
Volume
162
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Conformationally invariant modeling of a
Conformationally invariant modeling of atomic charges
✍ F. Colonna; E.M. Evleth 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 443 KB

A method is proposed for determining conformationally invariant fitted atom-centered charges. This method incorporates atomic polarizability effects into the charge fitting procedure. For the two systems investigated, glycol and a dipeptide model, it is shown that the fitted charge variations are re