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On the use of CNDO/2 calculations of molecular charge and/or spin distributions for chemical predictions

โœ Scribed by J. Burdon; I.W. Parsons


Publisher
Elsevier Science
Year
1976
Tongue
French
Weight
356 KB
Volume
32
Category
Article
ISSN
0040-4020

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๐Ÿ“œ SIMILAR VOLUMES


Quantum-chemical and empirical calculati
โœ Gustav Peinel ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 206 KB

A modified CNDO-APSG procedure to obtain the charge distributions of the headgroups of phosphatidylserine, -ethanolamine and -choline as monomers and as constituents of hexagonal lattice is presented. The calculated charge distributions are typically zwitter-ionic. There is only a small difference b