We provide theoretical information from quantum path integral molecular dynamics simulations on the size dependence of the mean optical excitation energy of the localized excess electron in (H>O); (n = 8-128) cluster. We consider the energetics and the nature of the electronic excitation, i.e. boun
✦ LIBER ✦
Optical spectra of crystalline CoNbOF5·6H2O
✍ Scribed by R. Murugesan; S. Subramanian
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 197 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0022-2860
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Infrared spectra of and of indicate weak to moderate NÈHAE AE AEN (N 2 H 5 ) 2 HGaF 6 AE 2H 2 O ( N 2 H 5 ) 2 HFeF 6 AE 2H 2 O hydrogen bonding. Data are interpreted in terms of a double minimum symmetrical potential well with a high barrier and statistical distribution of hydrogen in the minima on