FANTACCI, SIMONA
FANTACCI, SIMONA
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC
A Chiral Bis(salicylaldiminato)zinc(II) Complex with Second-Order Nonlinear Optical and Luminescent Properties in Solution
2020 Matozzo, Paola; Colombo, Alessia; Dragonetti, Claudia; Righetto, Stefania; Roberto, Dominique; Biagini, Paolo; Fantacci, Simona; Marinotto, Daniele
A Combined Computational and Experimental Study of Polynuclear Ru-TPPZ Complexes: Insight into the Electronic and Optical Properties of Coordination Polymers
2004 Fantacci, Simona; DE ANGELIS, Filippo; Wang, Jingjing; Bernhard, Stefan; Selloni, Annabella
A combined theoretical and experimental investigation of the electronic and vibrational properties of red lead pigment
2020 Amat, Anna; Rosi, Francesca; Miliani, Costanza; Sassi, Paola; Paolantoni, Marco; Fantacci, Simona
A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO
2011 Fantacci, Simona; DE ANGELIS, Filippo
A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications
2014 Lobello, Mg; De Angelis, F; Fantacci, S
A density functional study of ethylene rearrangements assisted by tungsten calix[4]arenes
2001 Simona Fantacci ; Antonio Sgamellotti ; Nazzareno Re; Carlo Floriani
A dynamic density functional study of the stepwise migratory insertion of isocyanides into zirconium-carbon bonds anchored to a calix[4]arene moiety
2002 Fantacci S.; De Angelis F.; Sgamellotti A.; Re N.
A high molar extinction coefficient charge transfer sensitizer and its application in dye-sensitized solar cell
2007 Nazeeruddin, Mk; Bessho, T; Cevey, L; Ito, S; Klein, C; De Angelis, F; Fantacci, S; Comte, P; Liska, P; Imai, H; Grätzel, M
A Joint Experimental and Theoretical Investigation on Nonlinear Optical (NLO) Properties of a New Class of Push-Pull Spirobifluorene Compounds
2010 Rizzo, Fabio; Cavazzini, Marco; Righetto, Stefania; DE ANGELIS, Filippo; Fantacci, Simona; Quici, Silvio
A TDDFT Study of the Ruthenium(II) Polyazaaromatic Complex [Ru(dppz)(phen)2]2+ in solution
2004 Fantacci, S; De Angelis, F; Sgamellotti, A; Re, N
A theoretical approach to a chemical system convertible into a storage cell: carbon-carbon bonds functioning as electron donor and electron acceptor units
2003 Rosi, M; Belanzoni, P; Fantacci, S; Sgamellotti, A
A Theoretical Approach to a Chemical System Convertible into a Storage Cell: Carbon-Carbon Bonds Functioning as Electron Donor and Electron Acceptor Units
2003 Belanzoni P.; Fantacci S.; Rosi M.; Sgamellotti A.
A time-dependent density functional theory investigation on the nature of the electronic transitions involved in the nonlinear optical response of [Ru(CF3CO2)3T] (T = 4'-(C6H4-p-NBu2)-2,2':6',2''-terpyridine
2006 De Angelis F.; Fantacci S.; Sgamellotti A.; Cariati F.; Roberto D.; Tessore F.; Ugo R.
Ab Initio Determination of Ground and Excited State Oxidation Potentials of Organic Chromophores for Dye-Sensitized Solar Cells
2010 Pastore, Mariachiara; Fantacci, Simona; DE ANGELIS, Filippo
Ab Initio Modeling of Solar Cell Dye Sensitizers: The Hunt for Red Photons Continues
2019 Fantacci, Simona; DE ANGELIS, Filippo
Ab initio molecular dynamics simulations of organometallic reactivity
2006 De Angelis, F; Fantacci, S; Sgamellotti, A
Absorption and Emission of the Apigenin and Luteolin Flavonoids: A TDDFT Investigation
2009 Amat, Anna; Clementi, Catia; DE ANGELIS, Filippo; Sgamellotti, Antonio; Fantacci, Simona
Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models
2011 DE ANGELIS, Filippo; Fantacci, Simona; Mosconi, Edoardo; K Nazeeruddin, Mohammad; Grätzel, Michael
Absorption spectrum and solvatochromism of the [Ru(4,4 '-COOH-2,2 '-bpy)(2)(NCS)(2)]
2003 Fantacci S. ; De Angelis F. ; Selloni A.
Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation
2008 Amat, A; De Angelis, F; Sgamellotti, A; Fantacci, S