GRECO, CLAUDIO

GRECO, CLAUDIO  

DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)  

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Titolo Tipologia Data di pubblicazione Autori File
Identification and in silico analysis of a new group of double-histone fold-containing proteins 01 - Articolo su rivista 2005 GRECO, CLAUDIOSACCO, ELENAVANONI, MARCO ERCOLEDE GIOIA, LUCA
In silico functional characterization of a double histone fold domain from the Heliothis zea virus 1 01 - Articolo su rivista 2005 GRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Proton Reduction and Dihydrogen Oxidation on Models of the [2Fe]H Cluster of [Fe]-Hydrogenases. A DFT Investigation. 01 - Articolo su rivista 2006 ZAMPELLA, GIUSEPPEGRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Time-Dependent Density Functional Theory Study of Fe2(CO)9 Low-Lying Electronic Excited States 01 - Articolo su rivista 2006 BERTINI, LUCAGRECO, CLAUDIODE GIOIA, LUCAFANTUCCI, PIERCARLO
Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example 03 - Contributo in libro 2007 BERTINI, LUCABRUSCHI, MAURIZIODE GIOIA, LUCAFANTUCCI, PIERCARLOGRECO, CLAUDIOZAMPELLA, GIUSEPPE
A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases 01 - Articolo su rivista 2007 GRECO, CLAUDIOBRUSCHI, MAURIZIODE GIOIA, LUCA +
Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2(S2C3H6)(CO)6: The simplest functional model of the Fe-hydrogenase active site 01 - Articolo su rivista 2007 GRECO, CLAUDIOZAMPELLA, GIUSEPPEBERTINI, LUCABRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Influence of a large sigma-donor ligand on structural and catalytic properties of di-iron compounds related to the active site of Fe-hydrogenase - A DFT investigation 01 - Articolo su rivista 2007 GRECO, CLAUDIOBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Mechanistic analysis of nucleophilic substrates oxidation by functional models of vanadium-dependent haloperoxidases: A density functional theory study 01 - Articolo su rivista 2007 ZAMPELLA, GIUSEPPEGRECO, CLAUDIODE GIOIA, LUCA +
Genetic analysis of polynucleotide phosphorylase structure and functions 01 - Articolo su rivista 2007 GRECO, CLAUDIODE GIOIA, LUCATORTORA, PAOLO +
Mechanism of Fe-only hydrogenases studied by QM/MMn methods 02 - Intervento a convegno 2007 GRECO, CLAUDIODE GIOIA, LUCABRUSCHI, MAURIZIO +
Structural insights into the active-ready form of [FeFe]-Hydrogenase and mechanistic details of its inhibition by carbon monoxide 01 - Articolo su rivista 2007 GRECO, CLAUDIOBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA +
A DFT and QM/MM Investigation on Models Related to the [FeFe]-Hydrogenase Active Site 09 - Tesi di dottorato 2007 GRECO, CLAUDIO
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site 01 - Articolo su rivista 2008 BRUSCHI, MAURIZIOGRECO, CLAUDIOZAMPELLA, GIUSEPPEDE GIOIA, LUCA +
Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation 01 - Articolo su rivista 2008 BRUSCHI, MAURIZIOGRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA
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 01 - Articolo su rivista 2009 BERTINI, LUCAGRECO, CLAUDIODE GIOIA, LUCAFANTUCCI, PIERCARLO
Optical and Structural Properties of Copper−Oxytocin Dications in the Gas Phase 01 - Articolo su rivista 2009 GRECO, CLAUDIO +
Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor 01 - Articolo su rivista 2009 GRECO, CLAUDIOBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: Hints for the rational design of synthetic catalysts 01 - Articolo su rivista 2009 BRUSCHI, MAURIZIOGRECO, CLAUDIOFANTUCCI, PIERCARLODE GIOIA, LUCA +
Hydrogenases: Theoretical Investigations Toward Bioinspired H2 Production and Activation 03 - Contributo in libro 2009 BRUSCHI, MAURIZIOZAMPELLA, GIUSEPPEGRECO, CLAUDIOBERTINI, LUCAFANTUCCI, PIERCARLODE GIOIA, LUCA