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Refinement of the parameters for the calculation of the distribution of charges in conjugated molecules from experimental quadrupole moments

โœ Scribed by I. A. Il'icheva; V. I. Poltev

Publisher
SP MAIK Nauka/Interperiodica
Year
1975
Tongue
English
Weight
289 KB
Volume
16
Category
Article
ISSN
0022-4766

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The nuclear quadrupole moment of Li: Ref
The nuclear quadrupole moment of Li: Refined calculations of electric field gradients in LiH, LiF, and LiCl
โœ Miroslav Urban; Andrzej J. Sadlej ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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