Finite electric field valence shell calculations of polarizability gradients and raman depolarization ratios for diatomic molecules |
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Authors: | Prof Dr N S Hush M L Williams |
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Institution: | 1. Department of Inorganic Chemistry, The University of Bristol, UK
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Abstract: | Calculation of polarizability gradients have been made for a number of diatomic molecules using the Finite Field CNDO/II approximate SCF method. Comparison with experimental results suggests that the method will be generally useful for the prediction and interpretation of Raman intensities. |
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