## Abstract The effect of the addition of diffuse functions of __sp__ type on the first row atoms (and/or of __d__ type on phosphorus) to a MINIβ1 minimal basis set is evaluated by comparing the SCF description of the interaction energy and its decomposition, counterpoise (CP) corrected and uncorre
Effect of basis-set superposition on the atomic charges and valencies in hydrogen- and lithium-bonded complexes
β Scribed by L. Behera; T. Kar; A.B. Sannigrahi
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 633 KB
- Volume
- 172
- Category
- Article
- ISSN
- 0009-2614
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