Electronic structure of unstable intermediates |
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| Authors: | Colin Thomson Brian J Wishart |
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| Institution: | (1) Department of Chemistry, University of St. Andrews, St. Andrews, Scotland |
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| Abstract: | The geometry of the species OCC has been investigated within the restricted Hartree-Fock LCAO-MO-SCF approximation. Several one electron properties have been calculated at the calculated minimum energy configuration of R(O-C)=2.121 bohr, R(C-C)=2.58 bohr. |
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| Keywords: | Unstable intermediates Calculated geometry |
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