𝔖 Bobbio Scriptorium
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Set of Molecular Models Based on Quantum Mechanical Ab Initio Calculations and Thermodynamic Data

✍ Scribed by Eckl, Bernhard; Vrabec, Jadran; Hasse, Hans


Book ID
121878033
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
215 KB
Volume
112
Category
Article
ISSN
0022-3654

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Heuristic intermolecular potential funct
✍ S. W. Harrison; S. Swaminathan; David L. Beveridge; Robert Ditchfield 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB

## Abstract An analytical potential function for the pairwise interaction of methane and water is reported. The function is representative of 225 __ab initio__ quantum‐mechanical calculations of the intermolecular interaction using 6–31G self‐consistent‐field molecular‐orbital theory. The statistic