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
✦ LIBER ✦
The vibrational dependence of the electric field gradient in cyanamide
✍ Scribed by Ronald D. Brown; Peter D. Godfrey; Martin Head-Gordon; Karl H. Wiedenmann; Burkhard Kleibömer
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 577 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0022-2852
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