Electric Properties of Molecule Zr<sub>2</sub>Fe Based on the Full Relativistic Theory
The present work is devoted to the study of the electric properties: electric dipole moment, electric quadrupole moment, electric field gradients and electric dipole polarizability of molecule Zr<sub>2</sub>Fe on base of the full relativistic theory with basis set 3–21G. The el...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2019-03-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/24/6/1127 |