It is shown that in the rectanguku configurarion, it is nt cessary to introduce "p" polarization atomic orbit& with small exponent in order to provide a good description of the dispersion energy. Our the amilable semi~mpiriul results.
Non-empirical calculations and basis set effects on the inversion geometry of the aniline molecule
β Scribed by Andreas Wolf; Ursula Voets; Hans -Herbert Schmidtke
- Publisher
- Springer
- Year
- 1979
- Tongue
- English
- Weight
- 518 KB
- Volume
- 54
- Category
- Article
- ISSN
- 1432-2234
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