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Frequency-dependence of the nuclear electric shielding in the HF molecule via equation-of-motion-approaches

โœ Scribed by P. Lazzeretti; E. Rossi; R. Zanasi


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
273 KB
Volume
93
Category
Article
ISSN
0022-2860

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Nuclear motion dependence of the electri
โœ Antonio C. Borin; Francisco B.C. Machado; Fernando R. Ornellas ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 409 KB

The electric field gradient (q) at the beryllium nucleus in BeH+ has been calculated as a function of the internuclear distance using the best BeH+ wavefunction available in the literature. Nuclear motion effects on q are computed as an average of q(R) over the vibrational wavefunction. It is shown