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Calculation of a volume effect accompanying an electronic topological transition in pure cerium

✍ Scribed by S. O. Ponomaryova, Yu. M. Koval’, O. P. Ponomaryov

Book ID
120810078
Publisher
Springer
Year
2012
Tongue
English
Weight
134 KB
Volume
57
Category
Article
ISSN
1063-7842

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## Abstract Effective core potential (ECP) and full‐electron (FE) calculations for MoS~4~^−2^, MoO~4~^−2^, and MoOCl~4~ compounds were analyzed. Geometry parameters, binding energies, charge distributions, and topological properties of the electronic density were studied for MoL bonds (L = S, O, C