| Synthesis of the H-cluster framework of iron-only hydrogenase C Tard, X Liu, SK Ibrahim, M Bruschi, L De Gioia, SC Davies, X Yang, ... Nature 433 (7026), 610-613, 2005 | 509 | 2005 |
| DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases M Bruschi, G Zampella, P Fantucci, L De Gioia Coordination chemistry reviews 249 (15-16), 1620-1640, 2005 | 146 | 2005 |
| Molecular determinants of the physicochemical properties of a critical prion protein region comprising residues 106–126 M Salmona, P Malesani, LDE GIOIA, S Gorla, M Bruschi, A Molinari, ... Biochemical journal 342 (1), 207-214, 1999 | 125 | 1999 |
| A QM/MM investigation of the activation and catalytic mechanism of Fe-only hydrogenases C Greco, M Bruschi, L De Gioia, U Ryde Inorganic chemistry 46 (15), 5911-5921, 2007 | 116 | 2007 |
| DFT Investigation of Structural, Electronic, and Catalytic Properties of Diiron Complexes Related to the [2Fe]H Subcluster of Fe-Only Hydrogenases M Bruschi, P Fantucci, L De Gioia Inorganic chemistry 41 (6), 1421-1429, 2002 | 98 | 2002 |
| Insights into the mechanism of electrocatalytic hydrogen evolution mediated by Fe2 (S2C3H6)(CO) 6: the simplest functional model of the Fe-hydrogenase active site C Greco, G Zampella, L Bertini, M Bruschi, P Fantucci, L De Gioia Inorganic chemistry 46 (1), 108-116, 2007 | 96 | 2007 |
| Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity … M Bruschi, P Fantucci, L De Gioia Inorganic chemistry 42 (15), 4773-4781, 2003 | 96 | 2003 |
| 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 … M Bruschi, C Greco, M Kaukonen, P Fantucci, U Ryde, L De Gioia Angewandte Chemie 121 (19), 3555-3558, 2009 | 91 | 2009 |
| The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster V Fourmond, C Greco, K Sybirna, C Baffert, PH Wang, P Ezanno, ... Nature chemistry 6 (4), 336, 2014 | 86 | 2014 |
| Predictive carcinogenicity: a model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network G Gini, M Lorenzini, E Benfenati, P Grasso, M Bruschi Journal of chemical information and computer sciences 39 (6), 1076-1080, 1999 | 86 | 1999 |
| Investigations on the role of proton-coupled electron transfer in hydrogen activation by [FeFe]-hydrogenase DW Mulder, MW Ratzloff, M Bruschi, C Greco, E Koonce, JW Peters, ... Journal of the American Chemical Society 136 (43), 15394-15402, 2014 | 81 | 2014 |
| Gas-phase reaction of phenol with NO3 E Bolzacchini, M Bruschi, J Hjorth, S Meinardi, M Orlandi, B Rindone, ... Environmental science & technology 35 (9), 1791-1797, 2001 | 77 | 2001 |
| Editorial Board: V. Balzani· A. de Meijere· KN Houk· H. Kessler· J.-M. Lehn SV Ley· SL Schreiber· J. Thiem· BM Trost· F. Vögtle H Yamamoto Combinatorial Chemistry 279, 2007 | 72 | 2007 |
| Nucleolin, a novel partner for the Myb transcription factor family that regulates their activity GG Ying, P Proost, J Van Damme, M Bruschi, M Introna, J Golay Journal of Biological Chemistry 275 (6), 4152-4158, 2000 | 70 | 2000 |
| Density functional theory investigation of the active site of Fe-hydrogenases. Systematic study of the effects of redox state and ligands hardness on structural and electronic … M Bruschi, P Fantucci, L De Gioia Inorganic chemistry 43 (12), 3733-3741, 2004 | 68 | 2004 |
| A theoretical study of spin states in Ni-S4 complexes and models of the [NiFe] hydrogenase active site M Bruschi, L De Gioia, G Zampella, M Reiher, P Fantucci, M Stein JBIC Journal of Biological Inorganic Chemistry 9 (7), 873-884, 2004 | 66 | 2004 |
| Structural and electronic properties of the [FeFe] hydrogenase H-cluster in different redox and protonation states. A DFT investigation M Bruschi, C Greco, P Fantucci, LD Gioia Inorganic chemistry 47 (13), 6056-6071, 2008 | 65 | 2008 |
| Disclosure of Key Stereoelectronic Factors for Efficient H2 Binding and Cleavage in the Active Site of [NiFe]-Hydrogenases M Bruschi, M Tiberti, A Guerra, L De Gioia Journal of the American Chemical Society 136 (5), 1803-1814, 2014 | 63 | 2014 |
| Dissecting the Intimate Mechanism of Cyanation of {2Fe3S} Complexes Related to the Active Site of All‐Iron Hydrogenases by DFT Analysis of Energetics, Transition States … G Zampella, M Bruschi, P Fantucci, M Razavet, CJ Pickett, L De Gioia Chemistry–A European Journal 11 (2), 509-533, 2005 | 54 | 2005 |
| Theoretical study of hydration of cyanamide and carbodiimide F Tordini, A Bencini, M Bruschi, L De Gioia, G Zampella, P Fantucci The Journal of Physical Chemistry A 107 (8), 1188-1196, 2003 | 53 | 2003 |
Luca De GioiabicoccaVerified email at unimib.it
