An AB initio molecular orbital study of the NF2 and N2F4 molecules,and ESR hyperfine coupling constants in NF2 |
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| Authors: | A. Hinchliffe J.C. Cobb |
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| Affiliation: | Chemistry Department, University of Manchester Insititute of Science and Technology Manchester M60 1QD, UK |
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| Abstract: | In this publication, we present the results of gaussian type orbital calculations of ESR hyperfine coupling constants in NF2. We also present electron density maps for the molecule, and the results of a calculation of ΔH0298 for the reaction N2F4 → 2NF2. |
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