๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Determination of the orbital populations and effective atomic charges in series of diatomic molecules

โœ Scribed by O. P. Charkin; A. S. Zyubin; P. G. Bodashko; N. M. Klimenko

Publisher
SP MAIK Nauka/Interperiodica
Year
1974
Tongue
English
Weight
284 KB
Volume
14
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Diamagnetic susceptibility of molecules.
Diamagnetic susceptibility of molecules. The effect of interatomic charge transfer in diatomics
โœ Z.B. Maksiฤ‡; N. Mikac ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 537 KB

The molecuthxr second moments and the related diamagnetic susceptrbiities were calculated for a series of diatomics by using some simple additivity formulas. The latter are based on the pointcharge approximation corrected by a relatively small but significant isotropic term which depends only on the

Determination of net atomic charges usin
Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules
โœ Je Myung Park; Kyoung Tai No; Mu Shik Jhon; Harold A. Scheraga ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 852 KB

The net atomic charge parameters for halogen atoms and the atoms in aromatic molecules have been determined by the modified partial equalization of orbital electronegativity method. The same parameters are used for the halogen atoms both in aromatic and nonaromatic systems. The calculated dipole mom