The Calculation of Electronic Properties of BH 4- , CH 4 and NH 4+ using One-centre Self-consistent Field Wave Functions
β Scribed by Albasiny, E L; Cooper, J R A
- Book ID
- 125549352
- Publisher
- Institute of Physics
- Year
- 1963
- Weight
- 801 KB
- Volume
- 82
- Category
- Article
- ISSN
- 0370-1328
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π SIMILAR VOLUMES
A transformation of the transverse Coulomb vector potential was implemented to calculate molecular magnetic properties via the random-phase Ε½ . approximation RPA within the framework of a ''longitudinal gauge.'' In this gauge, the diamagnetic contribution to magnetic susceptibility is a tensor with
The interaction of CO, H, NHg, CH,OH, H20, and C\*H,, with ultrathin Cu films supported on Ru (000 1) has been studied by means of XPS and TPD. For films with O,,< I, adsorption ofC0, &X4, and H induced shifts of +0.5, +0.3, and +0.25 eV, respectively, in the Cu(2p,,,) peak position. Negligible shif