๐”– Bobbio Scriptorium
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Quasiclassical 1/N Energy-Formulas for Relativistic Two-Body Systems

โœ Scribed by E. Papp


Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
424 KB
Volume
503
Category
Article
ISSN
0003-3804

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๐Ÿ“œ SIMILAR VOLUMES


Molecular mechanical models for organic
โœ Piotr Cieplak; James Caldwell; Peter Kollman ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 145 KB

## Abstract We have developed a methodology to derive RESP charges for molecular mechanical models that include โ€œlone pairsโ€ on loneโ€pair donor sites and atomโ€centered polarizabilities. This approach uses a very high level __ab initio__ ccโ€pVTZ basis set,1 where the multipole moments of the molecul