FANTUCCI, PIERCARLO
FANTUCCI, PIERCARLO
DIPARTIMENTO DI BIOTECNOLOGIE E BIOSCIENZE
Electronic configuration of cobalt(ii) low-spin complexes with acetylacetoneiminato dianions, studied by electronic and esr spectroscopy
1972 Busetto, C; Cariati, F; Fantucci, P; Galizzio, D; Morazzoni, F; Valenti, V
Esr-Spectra Of Square-Planar Tetragonal Complexes Of Cobalt(Ii) With Schiff-Bases
1972 Busetto, C; Cariati, F; Galizzioli, D; Morazzoni, F; Fantucci, P
APPLICATION OF SCF-MO-INDO METHOD NOT LIMITED TO STUDY OF SPIN-DENSITY IN COBALT(2+)-DIACETYLACETONEETHYLENEDIAMINE COMPLEXES
1973 Fantucci, P; Valenti, V; Cariati, F; Morazzoni, F
Electronic and magnetic properties of the inactive form of the complex NN′-ethylenebis(salicylideneiminato)cobalt(II), and of five-co-ordinate complexes of cobalt(II) with Schiff's bases
1973 Busetto, C; Cariati, F; Fantucci, P; G. A. L. I. Z. Z. I. O., D; Morazzoni, F
The electronic configuration of some low spin cobalt (II) N2O2 complexes studied by E.S.R. spectroscopy
1973 Busetto, C; Cariati, F; Fantucci, P; Galizzioli, D; Morazzoni, F
Ni-Fe hydrogenases: A density functional theory study of active site models
1999 DE GIOIA, L; Fantucci, P; Guigliarelli, B; Bertrand, P
The electronic structure and magnetic properties of the nickel tetramer and its partially carbonylated forms
1999 Bienati, M; Bonacic Koutecky, V; Fantucci, P
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds.
2000 Rindone, B; Bolzacchini, E; Orlandini, M; Bruschi, M; Fantucci, P
Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters
2002 Bonacic Koutecky, V; Burda, J; Mitric, R; Ge, M; Zampella, G; Fantucci, P
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases
2002 Bruschi, M; Fantucci, P; De Gioia, L
The cold-active lipase of Pseudomonas fragi: Heterologous expression, biochemical characterization and molecular modeling
2002 Alquati, C; DE GIOIA, L; Santarossa, G; Alberghina, L; Fantucci, P; Lotti, M
Theoretical study of hydration of cyanamide and carbodiimide
2003 Tordini, F; Bencini, A; Bruschi, M; DE GIOIA, L; Zampella, G; Fantucci, P
Density functional theory investigation of guanosine triphosphate models. Catalytic role of Mg2 ions in phosphate ester hydrolysis
2003 Franzini, E; Fantucci, P; De Gioia, L
Protein engineering for the improvement of enzymatic activity: a site-specific mutagenesis of a lactate dehydrogenase (LDH) expressed in Saccharomyces cerevisiae
2003 Branduardi, P; DE GIOIA, L; Zampella, G; Fantucci, P; Alberghina, L; Porro, D
Tailoring transition metal complexes for non linear optics applications - A theoretical investigation of the electronic structure of M(CO)(x)ClyL complexes (M = Cr, W, Re, Ru, Os, Rh, Ir; L = Pyz, PyzBF(3), BPE, BPEBF3)
2003 Bruschi, M; Fantucci, P; Pizzotti, M; Rovizzi, C
Density functional theory investigation of the active site of [Fe]-hydrogenases: Effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe](H) subcluster
2003 Bruschi, M; Fantucci, P; De Gioia, L
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 properties of complexes related to the [2Fe](H) subcluster
2004 Bruschi, M; Fantucci, P; DE GIOIA, L
Quantum Mechanical Models of the Resting State of the Vanadium-Dependent Haloperoxidase
2004 Zampella, G; Kravitz, J; Webster, C; Fantucci, P; Hall, M; Carlson, H; Pecoraro, V; DE GIOIA, L
A multitechnique investigation of the second order NLO response of a 10,20-diphenylporphyrinato nickel(II) complex carrying a phenylethynyl based push-pull system in the 5- and 15-positions
2004 Pizzotti, M; Annoni, E; Ugo, R; Bruni, S; Quici, S; Fantucci, P; Bruschi, M; Zerbi, G; Del Zoppo, M
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site
2004 Bruschi, M; DE GIOIA, L; Zampella, G; Reiher, M; Fantucci, P; Stein, M