## 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
The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: An examination of the basis set dependence
β Scribed by Giuliano Alagona; Caterina Ghio; Roberto Cammi; Jacopo Tomasi
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 999 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
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