Atomic charges obtained from infrared intensities have already been shown to be adequately represented by Mulliken net charges and even better by a version of Mulliken charges which makes them fit the molecular dipole moment. It is shown in this paper that the atomic charges derived from electrostat
✦ LIBER ✦
Experimental atomic charges from infrared intensities. Comparison with “ab initio” values
✍ Scribed by M. Gussoni; C. Castiglioni; G. Zerbi
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 234 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
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