Density functional calculations at LSD. NLSDl6-3lG\*. DZVP2 levels were performed on asoles. arines and their protona~edfonns. Geometries and dipole moments were well described by both global bases. ## Energies obtained at NLSD(BP)IDzVP2 level are reasonably comparable with high level ab initio and
Effects of protonation on electron densities in nitrogen heterocyclic molecules
✍ Scribed by W. Adam; A. Grimison; G. Rodríguez
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- French
- Weight
- 586 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0040-4020
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