Theoretical Investigation of the H 3 O + (H 2 O) 4 Cluster
โ Scribed by Christie, R. A.; Jordan, K. D.
- Book ID
- 127273236
- Publisher
- American Chemical Society
- Year
- 2001
- Tongue
- English
- Weight
- 112 KB
- Volume
- 105
- Category
- Article
- ISSN
- 1089-5639
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๐ SIMILAR VOLUMES
MP2 calculations are performed on selected structures of (H,O),. A prism-like structure is predicted to be lowest in energy, but three other structures are found to lie energetically within 0.3 kcal/mol of this structure. The S, hexagonal structure is predicted to lie 0.5-1.0 kcal/mol higher in ener
The structures and stabilities of 24-, 25-and 26-mer water clusters were studied by applying the intermediate neglect of differential overlap self consistent field restricted Hartree-Fock method (INDO SCF RHF) after parametrization for H and O atoms. The 24-mer tetrakaidecahedral cage structure is m
Sinde crystal susceptibilities of ErfCZOe) (%20J-i)-3H~O arc reported over the 1.5-20 K interval, and EPR spectra at 4.2 K of Y(CzO4) (C~O~H)S~H~O doped with Er3+ are C&O reported. The susceptibilities follow the Curie-Weiss law, with gn = 12.97 \* 0.05,gL" 2.98 +: 0.05, eu. = -0.25 2 0.05 K, and Bl