In semi-cmpiricnl molcculnr orbital cnlculntions it is frcqucntly desirable to include in the basis set of atomic orbitals low energy virtual atomic orbitnls. Criteria for representing the spectroscopically obscrvcd virtual orbitxls by single Slnter-type orbitnls @TO) are discussed. Representations
Semi-empirical molecular orbital calculations for pyridinealdoximes and acetamidopyridines
โ Scribed by J.S. Kwiatkowski; W. Herzog (Bonniewicz); B. Szczodrowska
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 603 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0022-2860
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