The structure of nitrosoacetylene by ab initio methods |
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Authors: | Stephen Bell |
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Affiliation: | Department of Chemistry, University of Dundee, Dundee DD1 4HN Gt. Britain |
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Abstract: | The geometrical structure of HCCNO has been calculated using ab initio SCF and GVB methods. Since it has not yet been prepared, attempts are made to predict spectroscopic constants related to its microwave, infrared and visible absorption spectra. |
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