Transmission of spin—spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator |
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| Authors: | G.E. Scuseria J.C. Facelli R.H. Contreras A.R. Engelmann |
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| Affiliation: | Departamento de Fisica, Facultad de Ciensias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Univeristaria, Pabellion 1, 1428 Buenos Aires, Argentina |
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| Abstract: | Inner projections of the polarization propagator are used to calculate components of the Fermi contact interaction between protons attached to the bridgehead carbon atoms of bicyclo(2,2,1)Heptane. Four- and five-bond paths and throuh-space interaction are considered. Reasonable path additivity and agreement with experimental data are found at the INDO level. |
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