AMAT ALBERTI, ANNA
AMAT ALBERTI, ANNA
DIPARTIMENTO DI CHIMICA, BIOLOGIA E BIOTECNOLOGIE
A Model Potential for Acetonitrile: from Small Clusters to Liquid
2013 Albertì, M.; AMAT ALBERTI, Anna; De Angelis, F.; Pirani, Fernando
A molecular dynamics study of the evolution from the formation of the C6F6 –(H2O)n small aggregates to the C6F6 solvation
2015 Albertí, M.; AMAT ALBERTI, Anna; Aguilar, A.; Huarte Larrañaga, F.; Lucas, J. M.; Pirani, Fernando
Absorption and Emission of the Apigenin and Luteolin Flavonoids: a TDDFT Investigation
2009 AMAT ALBERTI, Anna; Clementi, Catia; DE ANGELIS, F; Sgamellotti, Antonio; Fantacci, S.
Acid-base Chemistry of Luteolin and its Methyl-Ethers Derivatives: a DFT and Ab Initio Investigation
2008 AMAT ALBERTI, Anna; DE ANGELIS, F; Sgamellotti, Antonio; Fantacci, S.
Cation-induced band-gap tuning in organohalide perovskites: Interplay of spin-orbit coupling and octahedra tilting
2014 Amat, Anna; Mosconi, Edoardo; Ronca, Enrico; Quarti, Claudio; Umari, Paolo; Nazeeruddin, Md. K.; Grätzel, Michael; De Angelis, Filippo
Challenges in the simulation of dye-sensitized ZnO solar cells: quantum confinement, alignment of energy levels and excited state nature at the dye/semiconductor interface
2012 Amat, Anna; De Angelis, Filippo
Complexation of Apigenin and Luteolin in Weld Lake: a DFT/TDDFT investigation
2010 AMAT ALBERTI, Anna; Clementi, Catia; Miliani, Costanza; Romani, Aldo; Sgamellotti, Antonio; Fantacci, Simona
Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives
2010 Fantacci, S; AMAT ALBERTI, Anna; Sgamellotti, Antonio
Corrole dyes for dye-sensitized solar cells: The crucial role of the dye/semiconductor energy level alignment
2014 Salvatori, Paolo; Amat, Anna; Pastore, Mariachiara; Vitillaro, Giuseppe; Sudhakar, Kolanu; Giribabu, Lingamallu; Soujanya, Yarasi; De Angelis, Filippo
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy
2012 AMAT ALBERTI, Anna; Fantacci, S.; De Angelis, F.; Carlotti, Benedetta; Elisei, Fausto
First-principles modeling of mixed halide organometal perovskites for photovoltaic applications
2013 Mosconi, Edoardo; Amat, Anna; Nazeeruddin, Md. K.; Grätzel, Michael; De Angelis, Filippo
From the (NH3)2–5 clusters to liquid ammonia: Molecular dynamics simulations using the NVE and NpT ensembles
2015 Albertí, M.; AMAT ALBERTI, Anna; Farrera, L. l.; Pirani, Fernando
From the LiI-(CH3CN)1–10 small clusters to the solvation process in acetonitrile solutions of lithium iodide
2016 Albertí, M.; AMAT ALBERTI, Anna; De Angelis, F.; Pirani, Fernando
Molecular Dynamics Simulations of Small Clusters and Liquid Hydrogen Sulfide at Different Thermodynamic Conditions
2016 Albertí, M; AMAT ALBERTI, Anna; Aguilar, A.; Pirani, Fernando
Near-infrared absorbing unsymmetrical Zn(II) phthalocyanine for dye-sensitized solar cells
2013 Singh, Varun Kumar; Salvatori, Paolo; Amat, Anna; Agrawal, Saurabh; De Angelis, Filippo; Nazeeruddin, Md. K.; Krishna, Narra Vamsi; Giribabu, Lingamallu
Non-invasive multi-technique investigation of artworks: A new tool for on-the-spot data documentation and analysis
In corso di stampa AMAT ALBERTI, Anna; C., Miliani; Brunetti, Brunetto Giovanni
Physicochemical investigation of the panchromatic effect on β-substituted ZnII porphyrinates for DSSCs: The role of the π bridge between a dithienylethylene unit and the porphyrinic ring
2014 Di Carlo, Gabriele; Orbelli Biroli, Alessio; Tessore, Francesca; Pizzotti, Maddalena; Mussini, Patrizia Romana; Amat, Anna; De Angelis, Filippo; Abbotto, Alessandro; Trifiletti, Vanira; Ruffo, Riccardo
Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells
2013 Giribabu, Lingamallu; Singh, Varun Kumar; Jella, Tejaswi; Soujanya, Yarasi; Amat, Anna; De Angelis, Filippo; Yella, Aswani; Gao, Peng; Nazeeruddin, Mohammad Khaja
Tetraaryl ZnII porphyrinates substituted at β-pyrrolic positions as sensitizers in dye-sensitized solar cells: A comparison with meso-disubstituted push-pull ZnII porphyrinates
2013 Di Carlo, Gabriele; Orbelli Biroli, Alessio; Pizzotti, Maddalena; Tessore, Francesca; Trifiletti, Vanira; Ruffo, Riccardo; Abbotto, Alessandro; Amat, Anna; De Angelis, Filippo; Mussini, Patrizia R.
Theoretical investigation of the structural and electronic properties of luteolin, apigenin and their deprotonated species
2008 AMAT ALBERTI, Anna; DE ANGELIS, F.; Sgamellotti, Antonio; Fantacci, S.