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Relative stability of the2A1g and2Eg states of the C2H6+ ion
- Source :
- Theoretica Chimica Acta; December 1979, Vol. 53 Issue: 4 p377-381, 5p
- Publication Year :
- 1979
-
Abstract
- Anab initio study of the relative stability for the states<superscript>2</superscript>A<subscript>1g</subscript> and<superscript>2</superscript>E<subscript>g</subscript> of C<subscript>2</subscript>H<subscript>6</subscript><superscript>+</superscript> has been carried out. The results of the Open Shell Restricted Hartree-Fock calculations lead to assign the<superscript>2</superscript>A<subscript>1</subscript><subscript>g</subscript> as the ground state of the molecule in agreement with previous SCF calculations.
Details
- Language :
- English
- ISSN :
- 00405744
- Volume :
- 53
- Issue :
- 4
- Database :
- Supplemental Index
- Journal :
- Theoretica Chimica Acta
- Publication Type :
- Periodical
- Accession number :
- ejs15513806
- Full Text :
- https://doi.org/10.1007/BF00555696