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Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding

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Description scientific article published on 9 September 2016
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author: Fruzsina Gajdos  Jochen Blumberger  Marcus Elstner 

Publication date September 9, 2016
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