Near Hartree Fock wave function and computed molecular properties of methinophosphide,HCP |
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| Authors: | Colin Thomson |
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| Affiliation: | 1. Department of Chemistry, University of St. Andrews, Scotland
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| Abstract: | A near Hartree Fock wave function for HCP has been calculated within the RHF approximation, using a large STO basis set and this is compared with geometry optimisation calculations using a polarised double zeta basis. The population analysis indicates a C≡P bond, and various one electron properties have been computed and compared with the limited experimental data. |
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