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Ab initio molecular orbital calculations for butadiene and its ions |
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| Authors: | A. Hinchliffe |
| Affiliation: | University of Manchester Institute of Science and Technology, Manchester M60 1QD England |
| Abstract: | Ab initio calculations are reported for cis and trans butadiene and some of their ions. The calculations are compared with semi-empirical results, and used to predict coupling constants. |
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