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- W1991008066 abstract "Vibrational magnetic dipole transition moments, and hence rotational strengths and vibrational circular dichroism intensities, are determined by the atomic axial tensors. The electronic contributions to the latter, Iλαβ), are related via a sum rule to the paramagnetic susceptibility tensor, χϱαβ. Their accuracy can be gauged by comparison of χϱαβ tensors calculated using this sum rule to experimental data. This procedure is used to evaluate the atomic polar tensor (APT) and localized molecular orbital (LMO) theories of vibrational magnetic dipole transition moments, implemented ab initio. Our conclusion in regard to the LMO theory is not in agreement with that recently arrived at by Polavarapu." @default.
- W1991008066 created "2016-06-24" @default.
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- W1991008066 date "1991-05-01" @default.
- W1991008066 modified "2023-10-14" @default.
- W1991008066 title "Evaluation of theories of vibrational magnetic dipole transition moments using atomic axial tensor sum rules and paramagnetic susceptibilities" @default.
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- W1991008066 doi "https://doi.org/10.1016/0009-2614(91)85152-m" @default.
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