Temperature dependent self-diffusion coefficient measurements of glycerol by the pulsed N.M.R. technique |
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| Authors: | DJ Tomlinson |
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| Institution: | 1. Institut für Physikalische Chemie und Elektrochemie der Universit?t , Karlsruhe, Germany;2. Department of Physical Chemistry , The University , Cantock's Close, Bristol, BS8 1TS |
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| Abstract: | A review of the coupled Hartree-Fock method for calculation of second-order one-electron properties is given with special reference to force constants and static electric and magnetic properties. A comprehensive analysis of the computational problems is attempted and we present the logic of a computer programme. A number of results obtained for the H2O molecule are reported in part II of this work. |
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