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Theoretical Calculations of Mechanical, Electronic, and Chemical Bonding in CaN2, SrN2, and BaN2
Theoretical Calculations of Mechanical, Electronic, and Chemical Bonding in CaN2, SrN2, and BaN2
2014
Liqin Zhang
Yan Cheng
Zhen-Wei Niu
Chang-Ge Piao
Guang-Fu Ji
Keywords:
Chemical bond
Electronic structure
Molecular physics
Chemistry
Density functional theory
Inorganic chemistry
Chemical physics
Computational chemistry
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