Atomic populations according to the Mulliken, electrostatic, natural population, and atomic polar tensor (APT) definitions were evaluated for first-and second-row compounds using different correlated ab initio techniques, DFT methods, and basis sets. All definitions except MuUiken exhibit modest bas
On a new method for the calculation of dipole moment derivatives from infrared intensities
โ Scribed by D.E. Freeman
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 179 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0009-2614
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