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Parameters of MNDO method for Zn atom

โœ Scribed by A. A. Voityuk; A. A. Bliznyuk

Publisher
SP MAIK Nauka/Interperiodica
Year
1988
Tongue
English
Weight
293 KB
Volume
28
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES

MNDO parameters for the Ca atom
MNDO parameters for the Ca atom
โœ A. A. Bliznyuk; A. A. Voityuk ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› SP MAIK Nauka/Interperiodica ๐ŸŒ English โš– 232 KB
An improved set of mndo parameters for s
An improved set of mndo parameters for sulfur
โœ Michael J. S. Dewar; Charles H. Reynolds ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 331 KB

The MNDO parameters for sulfur have been reoptimized. Calculations for a number of sulfur compounds indicate a very significant improvement. Inclusion of d AOs failed to correct the errors for compounds of sulfur in its higher valence states. Since d AOs are not included, the calculations are still