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DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site

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Description scientific article published in May 2009
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author: Piercarlo Fantucci  Luca Bertini  Claudio Greco  Luca De Gioia 

Publication date May 1, 2009
Language English
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