ACOCELLA, ANGELA
ACOCELLA, ANGELA
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
Ricercatori a tempo determinato
Effects of knot tightness at the molecular level
2019-01-01 Zhang L.; Lemonnier J.-F.; Acocella A.; Calvaresi M.; Zerbetto F.; Leigh D.A.
Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction
2020-01-01 Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F.
Excitation Energy Transfer and Low-Efficiency Photolytic Splitting of Water Ice by Vacuum UV Light
2012-01-01 Acocella A.; Jones G.A.; Zerbetto F.
GPU-accelerated computation of electron transfer
2012-01-01 Hofinger S.; Acocella A.; Pop S.C.; Narumi T.; Yasuoka K.; Beu T.; Zerbetto F.
Imaging, photophysical properties and DFT calculations of manganese blue (barium manganate(vi) sulphate) – a modern pigment
2014-01-01 Accorsi, Gianluca; Verri, Giovanni; Acocella, Angela; Zerbetto, Francesco; Lerario, Giovanni; Gigli, Giuseppe; Saunders, David; Billinge, Rachel
An ‘imperial radiation’: Experimental and theoretical investigations of the photo-induced luminescence properties of 6,6′-dibromoindigo (Tyrian purple)
2019-01-01 Verri, Giovanni*; de Fonjaudran, Charlotte Martin; Acocella, Angela; Accorsi, Gianluca; Comelli, Daniela; D'Andrea, Cosimo; Nevin, Austin; Zerbetto, Francesco; Saunders, David
Mapping the modification of ring currents induced by cyclopentafusion on a naphthalene core
2001-01-01 Fowler P.W.; Steiner E.; Acocella A.; Jenneskens L.W.; Havenith R.W.A.
Mono- and Bichromatic Electron Dynamics: LiH a Test Case
2006-01-01 Acocella A.; Jones G.A.; Zerbetto F.
New insights into the composition of Indian yellow and its use in a Rajasthani wall painting
2018-01-01 Tamburini, Diego*; Martin de Fonjaudran, Charlotte; Verri, Giovanni; Accorsi, Gianluca; Acocella, Angela; Zerbetto, Francesco; Rava, Amarilli; Whittaker, Samuel; Saunders, David; Cather, Sharon
Nonlinear optical properties of C-60 with explicit time-dependent electron dynamics
2007-01-01 Jones G.A.; Acocella A.; Zerbetto F.
On-the-Fly, Electric-Field-Driven, Coupled Electron-Nuclear Dynamics
2008-01-01 Jones G.A.; Acocella A.; Zerbetto F.
One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths
2019-01-01 Canola S.; Mardegan L.; Bergamini G.; Villa M.; Acocella A.; Zangoli M.; Ravotto L.; Vinogradov S.A.; Di Maria F.; Ceroni P.; Negri F.
Optical and theoretical investigation of Indian yellow (euxanthic acid and euxanthone)
2017-01-01 Martin de Fonjaudran, Charlotte; Acocella, Angela; Accorsi, Gianluca; Tamburini, Diego; Verri, Giovanni; Rava, Amarilli; Whittaker, Samuel; Zerbetto, Francesco; Saunders, David
Prediction of soft X-ray photo-electron/absorption spectra by ab initio calculations
2011-01-01 A. Maris ; A. Acocella
Pyridinedicarboxamide strands form double helices via an activated slippage mechanism
2004-01-01 Acocella A.; Venturini A.; Zerbetto F.
Quantum Study of Laser-Induced Initial Activation of Graphite-to-Diamond Conversion
2010-01-01 Acocella A.; Carbone F.; Zerbetto F.
Real-Time Observation of Phonon-Mediated Ï-Ï Interband Scattering in MgB2
2017-01-01 Baldini, E.; Mann, A.; Benfatto, L.; Cappelluti, E.; Acocella, A.; Silkin, V. M.; Eremeev, S. V.; Kuzmenko, A. B.; Borroni, S.; Tan, T.; Xi, X. X.; Zerbetto, F.; Merlin, R.; Carbone, F.
A simple model for counter-rotating ring currents in [n]circulenes
2002-01-01 Acocella A.; Havenith R.W.A.; Steiner E.; Fowler P.W.; Jenneskens L.W.
Structural determinants in the bulk heterojunction
2018-01-01 Acocella, Angela*; Höfinger, Siegfried; Haunschmid, Ernst; Pop, Sergiu C.; Narumi, Tetsu; Yasuoka, Kenji; Yasui, Masato; Zerbetto, Francesco
Time-dependent quantum simulation of coronene photoemission spectra
2016-01-01 Acocella, Angela; De Simone, Monica; Evangelista, Fabrizio; Coreno, Marcello; Rudolf, Petra; Zerbetto, Francesco
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| Effects of knot tightness at the molecular level | Zhang L.; Lemonnier J.-F.; Acocella A.; Calvaresi M.; Zerbetto F.; Leigh D.A. | 2019-01-01 | PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA | - | 1.01 Articolo in rivista | pnas.1815570116.sapp.pdf; Effects of knot tightness.pdf |
| Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels-Alder Reaction | Acocella A.; Marforio T.D.; Calvaresi M.; Bottoni A.; Zerbetto F. | 2020-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | ct9b00690_si_001.pdf; acs.jctc.9b00690.pdf |
| Excitation Energy Transfer and Low-Efficiency Photolytic Splitting of Water Ice by Vacuum UV Light | Acocella A.; Jones G.A.; Zerbetto F. | 2012-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | - |
| GPU-accelerated computation of electron transfer | Hofinger S.; Acocella A.; Pop S.C.; Narumi T.; Yasuoka K.; Beu T.; Zerbetto F. | 2012-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Imaging, photophysical properties and DFT calculations of manganese blue (barium manganate(vi) sulphate) – a modern pigment | Accorsi, Gianluca; Verri, Giovanni; Acocella, Angela; Zerbetto, Francesco; Lerario, Giovanni; Gigli, Giuseppe; Saunders, David; Billinge, Rachel | 2014-01-01 | CHEMICAL COMMUNICATIONS | - | 1.01 Articolo in rivista | - |
| An ‘imperial radiation’: Experimental and theoretical investigations of the photo-induced luminescence properties of 6,6′-dibromoindigo (Tyrian purple) | Verri, Giovanni*; de Fonjaudran, Charlotte Martin; Acocella, Angela; Accorsi, Gianluca; Comelli, Daniela; D'Andrea, Cosimo; Nevin, Austin; Zerbetto, Francesco; Saunders, David | 2019-01-01 | DYES AND PIGMENTS | - | 1.01 Articolo in rivista | - |
| Mapping the modification of ring currents induced by cyclopentafusion on a naphthalene core | Fowler P.W.; Steiner E.; Acocella A.; Jenneskens L.W.; Havenith R.W.A. | 2001-01-01 | JOURNAL OF THE CHEMICAL SOCIETY. PERKIN TRANSACTIONS 2 | - | 1.01 Articolo in rivista | - |
| Mono- and Bichromatic Electron Dynamics: LiH a Test Case | Acocella A.; Jones G.A.; Zerbetto F. | 2006-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
| New insights into the composition of Indian yellow and its use in a Rajasthani wall painting | Tamburini, Diego*; Martin de Fonjaudran, Charlotte; Verri, Giovanni; Accorsi, Gianluca; Acocella, Angela; Zerbetto, Francesco; Rava, Amarilli; Whittaker, Samuel; Saunders, David; Cather, Sharon | 2018-01-01 | MICROCHEMICAL JOURNAL | - | 1.01 Articolo in rivista | - |
| Nonlinear optical properties of C-60 with explicit time-dependent electron dynamics | Jones G.A.; Acocella A.; Zerbetto F. | 2007-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
| On-the-Fly, Electric-Field-Driven, Coupled Electron-Nuclear Dynamics | Jones G.A.; Acocella A.; Zerbetto F. | 2008-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
| One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths | Canola S.; Mardegan L.; Bergamini G.; Villa M.; Acocella A.; Zangoli M.; Ravotto L.; Vinogradov S.A.; Di Maria F.; Ceroni P.; Negri F. | 2019-01-01 | PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES | - | 1.01 Articolo in rivista | - |
| Optical and theoretical investigation of Indian yellow (euxanthic acid and euxanthone) | Martin de Fonjaudran, Charlotte; Acocella, Angela; Accorsi, Gianluca; Tamburini, Diego; Verri, Giovanni; Rava, Amarilli; Whittaker, Samuel; Zerbetto, Francesco; Saunders, David | 2017-01-01 | DYES AND PIGMENTS | - | 1.01 Articolo in rivista | - |
| Prediction of soft X-ray photo-electron/absorption spectra by ab initio calculations | A. Maris ; A. Acocella | 2011-01-01 | - | s.n | 4.02 Riassunto (Abstract) | - |
| Pyridinedicarboxamide strands form double helices via an activated slippage mechanism | Acocella A.; Venturini A.; Zerbetto F. | 2004-01-01 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - | 1.01 Articolo in rivista | - |
| Quantum Study of Laser-Induced Initial Activation of Graphite-to-Diamond Conversion | Acocella A.; Carbone F.; Zerbetto F. | 2010-01-01 | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - | 1.01 Articolo in rivista | - |
| Real-Time Observation of Phonon-Mediated Ï-Ï Interband Scattering in MgB2 | Baldini, E.; Mann, A.; Benfatto, L.; Cappelluti, E.; Acocella, A.; Silkin, V. M.; Eremeev, S. V.; Kuzmenko, A. B.; Borroni, S.; Tan, T.; Xi, X. X.; Zerbetto, F.; Merlin, R.; Carbone, F. | 2017-01-01 | PHYSICAL REVIEW LETTERS | - | 1.01 Articolo in rivista | - |
| A simple model for counter-rotating ring currents in [n]circulenes | Acocella A.; Havenith R.W.A.; Steiner E.; Fowler P.W.; Jenneskens L.W. | 2002-01-01 | CHEMICAL PHYSICS LETTERS | - | 1.01 Articolo in rivista | - |
| Structural determinants in the bulk heterojunction | Acocella, Angela*; Höfinger, Siegfried; Haunschmid, Ernst; Pop, Sergiu C.; Narumi, Tetsu; Yasuoka, Kenji; Yasui, Masato; Zerbetto, Francesco | 2018-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Time-dependent quantum simulation of coronene photoemission spectra | Acocella, Angela; De Simone, Monica; Evangelista, Fabrizio; Coreno, Marcello; Rudolf, Petra; Zerbetto, Francesco | 2016-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |