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- W2078367410 abstract "Anisotropic g tensors for electron spin resonance (ESR) are calculated in the energy weighted maximum overlap model (EWMO) for a number of inorganic radicals. The g tensor for the hitherto unobserved radical HBF is predicted. Calculated principal components and directions of the g tensors for the HSO2 and FSO2 radicals are used to suggest a choice between different solutions for the g tensor and hyperfine interaction tensor recently obtained by McDowell et al. in a study of hydrogen and fluorine atom addition to SO2. The magnetic field is included to all orders in the calculations and London’s field-dependent atomic orbitals are used in order to obtain a translationally invariant formulation of the method. The g tensor is obtained to first order in spin–orbit coupling, which is included in the model via atomic orbital energy parameters." @default.
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- W2078367410 title "Calculations of <i>g</i> tensors for electron spin resonance in the energy weighted maximum overlap model" @default.
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- W2078367410 doi "https://doi.org/10.1063/1.433082" @default.
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