## Abstract The natural atomic orbital/point (NAO‐PC) model originally developed to calculate molecular electrostatic potentials (MEPs) and multiple moments based on the AM1 wave function has been extended to PM3. As for AM1, NAO‐PC/PM3 reproduces dipole moments calculated by the standard PM3 metho
Lattice dynamics of molecular crystals using atom—atom and multipole—multipole potentials
✍ Scribed by N. Neto; R. Righini; S. Califano; S.H. Walmsley
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 906 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0301-0104
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