In a recent study of FNOs, it was found that the second-order Meller-Plesset (MP2) level of theory signitkantly overestimated the N-F bond length, the geometrical parameter most sensitive to the effects ofbasis set and electron correlation. We obtain more accurate structures using Pople split-valenc
Ab initio second-order Møller-Plesset calculation of the vibrational spectra of C4 clusters
✍ Scribed by D. Michalska; H. Chojnacki; B.Andes Hess Jr.; L.J. Schaad
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 307 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0009-2614
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