๐”– Bobbio Scriptorium
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A gauge-variational calculation of molecular diamagnetic susceptibility

โœ Scribed by S. K. Sinha; R. Ghosh

Book ID
104582188
Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
651 KB
Volume
32
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Gauge invariant gaussian orbitals and th
Gauge invariant gaussian orbitals and the ab initio calculation of diamagnetic susceptibility for molecules
โœ G. G. Hall ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 440 KB

## Abstract It is shown that gauge terms can be introduced into the Gaussian functions used as the basis functions for an __ab initio__ calculation of the energy of a molecule in the presence of a uniform magnetic field so that all the integrals become independent of the origin of the vector potent

CNDO calculation of the diamagnetic susc
CNDO calculation of the diamagnetic susceptibilities of cyclic conjugated molecules
โœ A. Boucekkine ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 229 KB

## Abstract We present the results obtained within the CNDO/2 method for the diamagnetic susceptibilities of a series of conjugated molecules including benzene, fulvene, pyridine, pyrrole, and furan. The calculations have been carried out, according to Bley's method, in the framework of coupled Har