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- W2138339089 abstract "We present the first results from quantum-chemical calculation of a vibrational g-factor; the calculations were performed at the level of full configuration interaction using a basis set of aug-cc-pVQZ quality. The theoretical results are consistent with experimental results from analysis of pure rotational and vibration-rotational spectra of dihydrogen in six isotopic variants, in which calculated results for either the rotational g-factor or adiabatic corrections are employed to constrain fits of coefficients of radial functions from wave numbers of transitions. When fits are constrained with data for the rotational g-factor, we reproduce also the radial dependence of adiabatic corrections relative to their value at equilibrium internuclear separation." @default.
- W2138339089 created "2016-06-24" @default.
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- W2138339089 date "2005-01-01" @default.
- W2138339089 modified "2023-10-01" @default.
- W2138339089 title "The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra" @default.
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- W2138339089 doi "https://doi.org/10.1039/b500992h" @default.
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