𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The use of electric field gradient calculations in charge density refinements. I. Hirshfeld-type deformation functions and the calculation of electric field gradients by Fourier series

✍ Scribed by Schwarzenbach, D. ;Thong, Ngo


Book ID
118689937
Publisher
International Union of Crystallography
Year
1979
Weight
769 KB
Volume
35
Category
Article
ISSN
0567-7394

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The nuclear quadrupole moment of Li: Ref
✍ Miroslav Urban; Andrzej J. Sadlej πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 589 KB

A series of hi&-level correlated calculations of the electric field gradient at the ti nucleus have been performed for LiH, LiF, and LiCl. The present results lead to a refined "molecular" value of the nuclear quadrupole moment of'Li, Q( 'Li) = -4.01 e fm' which is in excellent agreement with the mo