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Structure Models for γ-Aluminum Oxynitride from Ab Initio Calculations

✍ Scribed by Chang Ming Fang; Rudi Metselaar; Hubertus T. Hintzen; Gijsbertus de With

Book ID
110828759
Publisher
John Wiley and Sons
Year
2001
Tongue
English
Weight
283 KB
Volume
84
Category
Article
ISSN
0002-7820

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📜 SIMILAR VOLUMES

Atomic charge models for polypeptides de
Atomic charge models for polypeptides derived from ab initio calculations
✍ M. N. Bellido; J. A. C. Rullmann 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 777 KB

Ab Initio charge distributions for amino acid dipeptides are derived utilizing two medium-sized basis sets. Peptide charges differ in two ways from those of existing force fields: the magnitude of the peptide dipole and the dependency on the residue type. The merging of charge distributions of side