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Ab initio quantum chemical calculation of the pair potentials of superconductors

✍ Scribed by Jiro Tanaka


Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
113 KB
Volume
445-448
Category
Article
ISSN
0921-4534

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Correlated ab initio quantum chemical ca
✍ Ian R. Gould; Hoda Abdel-Aal Bettley; Richard A. Bryce πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 312 KB

## Abstract High level correlated quantum chemical calculations, using MP2 and local MP2 theory, have been performed for conformations of the disaccharide, β‐maltose, and the trisaccharide, 3,6‐di‐__O__‐(α‐D‐mannopyranosyl)‐α‐D‐mannopyranose. For β‐maltose, MP2 and local MP2 calculations using the