BRUSCHI, MAURIZIO

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BRUSCHI, MAURIZIO

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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: 0.022 secondi).

Computational methods in the prediction of the atmospheric reactivity of aromatic compounds.

2000 Rindone, B; Bolzacchini, E; Orlandini, M; Bruschi, M; Fantucci, P

Gas-phase reaction of phenol with NO3

2001 Bolzacchini, E; Bruschi, M; Hjorth, J; Meinardi, S; Orlandi, M; Rindone, B; Rosenbohm, E

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

Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis

2002 Bruschi, M; Giuffreda, M; Luthi, H

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 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

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. 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

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

Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis

2004 Giuffreda, M; Bruschi, M; Luthi, H

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

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

2005 Zampella, G; Bruschi, M; Fantucci, P; DE GIOIA, L

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

2005 Annoni, E; Pizzotti, M; Ugo, R; Quici, S; Morotti, T; Bruschi, M; Mussini, P

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)

2005 DELLA PERGOLA, R; Bruschi, M; Fabrizi de Biani, F; Fumagalli, A; Garlaschelli, L; Laschi, F; Manassero, M; Sansoni, M; Zanello, P

'Measuring' electron delocalization in π-conjugated systems

2005 Bruschi, M; Giuffreda, M; Luthi, H

Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis

2005 Bruschi, M; Giuffreda, M; Luethi, H

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

2005 Zampella, G; Bruschi, M; Fantucci, P; Razavet, M; Pickett, C; DE GIOIA, L

DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases

2005 Bruschi, M; Zampella, G; Fantucci, P; DE GIOIA, L

Synthesis of the H-cluster framework of iron-only hydrogenase

2005 Tard, C; Liu, X; Ibrahim, S; Bruschi, M; DE GIOIA, L; Davies, S; Yang, X; Wang, L; Sawers, G; Pickett, C

Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)5L Complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF3, BPE, BPEBF3)

2005 Bruschi, M; Fantucci, P; Pizzotti, M

Titolo	Tipologia	Data di pubblicazione	Autori
Computational methods in the prediction of the atmospheric reactivity of aromatic compounds.	01 - Articolo su rivista	2000	RINDONE, BRUNOBOLZACCHINI, EZIOOrlandini, MBRUSCHI, MAURIZIOFANTUCCI, PIERCARLO + -
Gas-phase reaction of phenol with NO3	01 - Articolo su rivista	2001	BOLZACCHINI, EZIOBRUSCHI, MAURIZIOHjorth, JMeinardi , SORLANDI, MARCO EMILIORINDONE, BRUNORosenbohm, E. + -
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.
Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis	01 - Articolo su rivista	2002	Bruschi, MGiuffreda, MGLuthi, HP + -
Theoretical study of hydration of cyanamide and carbodiimide	01 - Articolo su rivista	2003	TORDINI, FRANCESCOBencini, ABRUSCHI, MAURIZIODE GIOIA, LUCAZAMPELLA, GIUSEPPEFANTUCCI, 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.
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, PIERCARLOPizzotti, MRovizzi, C. + -
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
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	Pizzotti, MAnnoni, EUgo, RBruni, SQuici, SFANTUCCI, PIERCARLOBRUSCHI, MAURIZIOZerbi, GDel Zoppo, M. + -
Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis	01 - Articolo su rivista	2004	Giuffreda, MGBRUSCHI, MAURIZIOLuthi, HP + -
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, GIUSEPPEReiher, MFANTUCCI, PIERCARLOStein, M. + -
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
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	Annoni, EPizzotti, MUgo, RQuici, SMorotti, TBRUSCHI, MAURIZIOMussini, P. + -
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, MAURIZIOFabrizi de Biani, FFumagalli, AGarlaschelli, LLaschi, FManassero, MSansoni, MZanello, P. + -
'Measuring' electron delocalization in π-conjugated systems	01 - Articolo su rivista	2005	BRUSCHI, MAURIZIOGiuffreda, MGLuthi, HP + -
Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis	01 - Articolo su rivista	2005	BRUSCHI, MAURIZIOGiuffreda, MGLuethi, HP + -
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, PIERCARLORazavet, MPickett, CJDE GIOIA, LUCA + -
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
Synthesis of the H-cluster framework of iron-only hydrogenase	01 - Articolo su rivista	2005	Tard, CLiu, XMIbrahim, SKBRUSCHI, MAURIZIODE GIOIA, LUCADavies, SCYang, XWang, LSSawers, GPickett, CJ + -
Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)5L Complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF3, BPE, BPEBF3)	01 - Articolo su rivista	2005	BRUSCHI, MAURIZIOFANTUCCI, PIERCARLOPizzotti, M. + -

Bicocca Open Archive

BRUSCHI, MAURIZIO

Computational methods in the prediction of the atmospheric reactivity of aromatic compounds.

Gas-phase reaction of phenol with NO3

DFT investigation of structural, electronic, and catalytic properties of diiron complexes related to the [2Fe]H subcluster of Fe-only hydrogenases

Trans versus geminal electron delocalization in tetra- and diethynylethenes: A new method of analysis

Theoretical study of hydration of cyanamide and carbodiimide

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

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)

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

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

Electron delocalization in linearly pi-conjugated systems: A concept for quantitative analysis

A theoretical study of spin states in Ni-S-4 complexes and models of the [NiFe] hydrogenase active site

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

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

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)

'Measuring' electron delocalization in π-conjugated systems

Through versus cross electron delocalization in polytriacetylene oligomers: A computational analysis

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

DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases

Synthesis of the H-cluster framework of iron-only hydrogenase

Tailoring transition metal complexes for nonlinear optics applications. 2. A theoretical investigation of the second-order nonlinear optical properties of M(CO)5L Complexes (M = Cr, W; L = Py, PyCHO, Pyz, PyzBF3, BPE, BPEBF3)