【摘 要】
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The structures,relative stabilities,vertical electron detachment energies and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry DFT and ab initio study.S
【机 构】
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College of Chemistry and Materials Science,Northwest University,Xi'an 710127
论文部分内容阅读
The structures,relative stabilities,vertical electron detachment energies and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry DFT and ab initio study.Several XC functionals are utilized to investigate the effects of different halogen ligands and central atoms on their properties.
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