Electronic Structure of a Molecular Magnet from Salicylate Based Copper Complex
The electronic structure of the metallo-organic compound Cu(SA)2(2-PM)2 (2-PM is 2-pyridylmethanol) is presented. The calculation was performed using the Density Functional Theory with unrestricted spin polarized model and large wave function basis sets which include the polarized and diffuse functi...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
H. : ĐHQGHN
2017
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| Subjects: | |
| Online Access: | http://repository.vnu.edu.vn/handle/VNU_123/56354 |
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| Institution: | Vietnam National University, Hanoi |
| Language: | English |