## Abstract Several βcoreβdeficientβ small Gaussian basis sets were constructed and analyzed in terms of the balance requirements of functions that contribute predominantly to the core. Variations in the conformational energy barriers and geometrical parameters for ammonia and ethane, calculated wi
The accuracy of the one-term Gaussian representation for core electrons in calculating the experimental valence charge density of KCl
β Scribed by Linkoaho, M. V. H.
- Book ID
- 114522716
- Publisher
- International Union of Crystallography
- Year
- 1980
- Weight
- 201 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0567-7394
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