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Electronic structure of unstable intermediates |
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| Authors: | Colin Thomson Brian J. Wishart |
| Affiliation: | (1) Department of Chemistry, University of St. Andrews, Scotland |
| Abstract: | The geometry of the linear molecule HBO, has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. The calculated bond lengths for the near Hartree-Fock calculation were R(H-B)=2.1913 bohr, R(B-O)=2.2284 bohr. Several one electron properties have been calculated for the minimum energy configuration. |
| Keywords: | HBO, electronic structure of |
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