Electric Properties of Molecule Zr<sub>2</sub>Fe Based on the Full Relativistic Theory

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...

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Bibliographic Details
Main Authors:	Jiangfeng Song, Li Zhang, Xianggang Kong, Xiaoyu Hu, Daqiao Meng, Zhenghe Zhu
Format:	Article
Language:	English
Published:	MDPI AG 2019-03-01
Series:	Molecules
Subjects:	Dirac equation electric dipole moment electric field gradients Zr<sub>2</sub>Fe
Online Access:	https://www.mdpi.com/1420-3049/24/6/1127

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