Electric polarizabilities,magnetic susceptibilities and dispersion coefficients for hydrocarbons |
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Authors: | Jonathan A. Yoffe |
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Affiliation: | (1) Department of Mathematics, University of Nottingham, NG7 2RD University Park, Nottingham, England |
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Abstract: | Using wavefunctions given in the companion paper bond properties and interactions are computed. Results are in agreement with other theoretical estimates and provide good molecular results. Differences between similar bonds can be accounted for by change in bond length. Simple formulae can be used to normalize bond contributions according to bond length. Parameters should be applicable to macromolecules. |
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Keywords: | Bond properties Bond interactions Hydrocarbons |
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