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Charge transfer properties of the hydrogen bond: Part 4. On the CNDO/2 molecular orbital calculations and the problem of the relation between the energy and the amount of charge transferred within hyd

โœ Scribed by Henryk Ratajczak


Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
200 KB
Volume
17
Category
Article
ISSN
0022-2860

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Molecular-orbital calculations on transi
โœ W.Th.A.M. Van Der Lugt ๐Ÿ“‚ Article ๐Ÿ“… 1971 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 391 KB

The results of some molecular-orbital caIculations on some transition-metal complexes according to a nove1 allvalence electron method are summarized. A comparison is made between the CalcuIated and experimental chargetransfer spectra. In addition, attention is drawn to the remarkable sequence of the