When previously measured double-ionization energies of the ethyne (C,H,) molecule to singlet and triplet electronic states of its dication are compared with previously calculated values, it becomes apparent that some of the predicted values are not matched with equivalent experimental data. In the p
The Theoretical Treatment of Ionized Molecules
β Scribed by G. G. Hall
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 673 KB
- Volume
- 73
- Category
- Article
- ISSN
- 0037-9646
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π SIMILAR VOLUMES
Upon request of experimentalists now engaged in high-resolution spectroscopic investigations of the molecule KRb, we have determined the potential energy of electronic states 2SΟ©1 β³ (Ο©) correlating up to the limit K(5p) Ο© Rb(5s) and of electronic states β (Ο©/Οͺ) correlating up to the limit K(4s) Ο© Rb
The theoretical conformations of poly (Gly-Ala-Glu) have been studied. This peptide was chosen as a model for the glycine led triads of the polar regions in collagen. The most favorable conformations are found to be based on the extended and folded forms of the 27 helix ( 2 ~~ and 27b). It is sugges