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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Bibliographic Details
Main Authors: Nguyen, Duc Tho, Nguyen, Thuy Trang, Hoang, Nam Nhat
Format: Article
Language:English
Published: H. : ĐHQGHN 2017
Subjects:
DFT
Online Access:http://repository.vnu.edu.vn/handle/VNU_123/56354
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Institution: Vietnam National University, Hanoi
Language: English