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
Theoretical study of several Fe(H2o)n2+ clusters at different temperatures
✍ Scribed by A. Gonzáalez-Lafont; J. M. Lluch; A. Oliva; J. Bertrágn
- Publisher
- John Wiley and Sons
- Year
- 1986
- Tongue
- English
- Weight
- 529 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
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
Austenitic stainless steel AISI 304 has been nitrided by radio frequency (rf) plasma containing various nitrogen-hydrogen gas mixtures, in order to study the effect of hydrogen on structure and magnetic properties of the formed compound layer. The thermal temperature has been measured at the vicinit