The Pseudopotential Method: A Test of the Usability of a Simple Pseudopotential for the Heavy Atoms Ge and Sn
β Scribed by H. van Hooste; F. F. Roelandt; D. F. van De Vondel; G. P. van Der Kelen
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 167 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0037-9646
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π SIMILAR VOLUMES
We present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential.
## Abstract For Abstract see ChemInform Abstract in Full Text.
## Abstract For Abstract see ChemInform Abstract in Full Text.
## Abstract The chitosan was degraded by the cheap, efficient, and commercially available enzymes in hydrochloric acid solution. The effect of molar ratio of added HCl to ο£ΏNH~2~ of chitosan on the degradation was investigated, and the favorable ratio was between 0.50 and 0.95. The chitooligomer hyd