BRUSCHI, MAURIZIO

BRUSCHI, MAURIZIO  

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

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Risultati 1 - 20 di 118 (tempo di esecuzione: 0.033 secondi).
Titolo Tipologia Data di pubblicazione Autori File
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds. 01 - Articolo su rivista 2000 RINDONE, BRUNOBOLZACCHINI, EZIOBRUSCHI, MAURIZIOFANTUCCI, PIERCARLO +
Gas-phase reaction of phenol with NO3 01 - Articolo su rivista 2001 BOLZACCHINI, EZIOBRUSCHI, MAURIZIOORLANDI, MARCO EMILIORINDONE, BRUNO +
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis 01 - Articolo su rivista 2002 Bruschi, M +
DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe](H) subcluster of Fe-only hydrogenases 01 - Articolo su rivista 2002 Bruschi, MFantucci, PDe Gioia, L.
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) 01 - Articolo su rivista 2003 BRUSCHI, MAURIZIOFANTUCCI, PIERCARLO +
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 01 - Articolo su rivista 2003 Bruschi, MFantucci, PDe Gioia, L.
Theoretical study of hydration of cyanamide and carbodiimide 01 - Articolo su rivista 2003 TORDINI, FRANCESCOBRUSCHI, MAURIZIODE GIOIA, LUCAZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLO +
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 01 - Articolo su rivista 2004 FANTUCCI, PIERCARLOBRUSCHI, MAURIZIO +
A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site 01 - Articolo su rivista 2004 BRUSCHI, MAURIZIODE GIOIA, LUCAZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLO +
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 01 - Articolo su rivista 2004 BRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis 01 - Articolo su rivista 2004 BRUSCHI, MAURIZIO +
A new multivalent cluster: synthesis, electrochemistry, solid state structure and computational studies on the iron-nickel mixed-metal nitride anions [Fe6Ni6N2(CO)24]n- (n = 2-4) 01 - Articolo su rivista 2005 DELLA PERGOLA, ROBERTOBRUSCHI, MAURIZIO +
DFT investigation of H-2 activation by [M(NHPnPr(3))(' S3 ')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA
'Measuring' electron delocalization in π-conjugated systems 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIO +
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIOZAMPELLA, GIUSEPPEFANTUCCI, PIERCARLODE GIOIA, LUCA
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, intermediates and products in the carbonyl substitution pathway 01 - Articolo su rivista 2005 ZAMPELLA, GIUSEPPEBRUSCHI, MAURIZIOFANTUCCI, PIERCARLODE GIOIA, LUCA +
Synthesis of the H-cluster framework of iron-only hydrogenase 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIODE GIOIA, LUCA +
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIO +
Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)(5)L complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF(3), BPE, BPEBF3) 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIOFANTUCCI, PIERCARLO +
Synthesis, electronic characterisation and significant second-order non-linear optical responses of meso-tetraphenylporphyrins and their Zn-II complexes carrying a push or pull group in the beta pyrrolic position 01 - Articolo su rivista 2005 BRUSCHI, MAURIZIO +