𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular fragments and the hybrid basis

✍ Scribed by Carol A. Baxter; David B. Cook

Publisher
John Wiley and Sons
Year
1996
Tongue
English
Weight
901 KB
Volume
60
Category
Article
ISSN
0020-7608

No coin nor oath required. For personal study only.

✦ Synopsis

A method of performing ab initio calculations of the electronic structure of fragments within a larger molecule is reported. The method uses the self-consistent group formalism of McWeeny together with the systematic use of a hybrid atomic orbital basis. The mutual compatibility of these two ideas is stressed and results are given for model calculations on fragments in saturated hydrocarbon chains and rings.

πŸ“œ SIMILAR VOLUMES

Establishing the Molecular Basis for Mol
Establishing the Molecular Basis for Molecular Electronics
✍ Ronald A. Wassel; Christopher B. Gorman πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons βš– 7 KB πŸ‘ 2 views

## Abstract For Abstract see ChemInform Abstract in Full Text.

The Molecular Basis of Olfactory Chemore
The Molecular Basis of Olfactory Chemoreception
✍ Uwe J. Meierhenrich; Jerome Golebiowski; Xavier Fernandez; Daniel Cabrol-Bass πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons βš– 8 KB πŸ‘ 1 views
The molecular basis of celiac disease
The molecular basis of celiac disease
✍ Frits Koning πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 100 KB

## Abstract Celiac disease is caused by inflammatory, gluten specific T cell responses in the small intestine. Invariably such responses are HLA‐DQ2 or HLA‐DQ8 restricted, providing an explanation for the strong association between celiac disease and these HLA‐class II alleles. It is now clear that