A Density Functional Study of the Systems [MH3(PMe3)4]+ (M = FE, RU, OS)
β Scribed by Jacobsen, Heiko ;Berke, Heinz
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1997
- Tongue
- English
- Weight
- 430 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0009-2940
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π SIMILAR VOLUMES
The high resolution valence level photoelectron spectra of Os(CO)4PMe 3 using He I and He I1 laboratory Sources and synchrotron radiation, are reported. The binding energies of the osmium 5p core orbitals have also been determined. The metal 5p ~ 5d resonances were observed using variable energy syn
## Abstract The phase diagram of (Fe~1β__x__~ Mn~__x__~)~3~C has been investigated by means of densityβfunctional theory (DFT) calculations at absolute zero temperature. The atomic distributions of the metal atoms are not randomβlike as previously proposed but we find three different, ordered regio