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Journal of Applied Chemical Research

Issue 1 Vol. 9 Winter 2015

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  - Mozhdeh Shabani
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  - Mozhdeh Shabani

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Manuscript ID : 516089 Visit : 340 Page: 7 - 19

20.1001.1.20083815.2015.9.1.1.8

Article Type: Original Research

Electronic Structure and Properties of Anticancer Active Molecule Ansa-titanocene Dichloride

Subject Areas : Polymer

Reza Ghiasi ¹ , Mozhdeh Shabani ²

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Received: 2015-11-11 Accepted : 2015-11-11 Published : 2015-01-01

Keywords: DFT calculation, Thermodynamic parameters, Molecular orbital analysis, NBO analysis, Ansa-titanocene dichloride, Density of state,

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