Comparative study between LMTO and FPLAPW into the calculation of the electronic structure of carbide Cr23C6
β Scribed by A.V. dos Santos
- Book ID
- 103886376
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 244 KB
- Volume
- 387
- Category
- Article
- ISSN
- 0921-4526
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π SIMILAR VOLUMES
## KUBLI-GARFIAS, VAZQUEZ, AND MENDIETA with mono-hydroxyl or di-hydroxyl functional groups showed the lowest HOMO values; the highest LUMO values and quasi degeneracy of HOMO y 1 and LUMO q 1. The HOMO and LUMO of etiocholane and for the mono and di-hydroxyl structures were observed diffused thro
5β€-pregnan-20-one , and epipregnanolone 3β£-hydroxy-5β€-pregnan-20-one result from w Ε½ .x the 5β€-reduction of progesterone 4-pregnene, 3-20-dione P . These P metabolites induce Ε½ . anesthesia and smooth muscle relaxation nongenomic actions . In the present study, geometries and electronic structure of