ACOCELLA, ANGELA
ACOCELLA, ANGELA
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
Assegnisti
A simple model for counter-rotating ring currents in [n]circulenes
2002 Acocella A.; Havenith R.W.A.; Steiner E.; Fowler P.W.; Jenneskens L.W.
An ‘imperial radiation’: Experimental and theoretical investigations of the photo-induced luminescence properties of 6,6′-dibromoindigo (Tyrian purple)
2019 Verri, Giovanni*; de Fonjaudran, Charlotte Martin; Acocella, Angela; Accorsi, Gianluca; Comelli, Daniela; D'Andrea, Cosimo; Nevin, Austin; Zerbetto, Francesco; Saunders, David
Effects of knot tightness at the molecular level
2019 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 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 Acocella A.; Jones G.A.; Zerbetto F.
GPU-accelerated computation of electron transfer
2012 Hofinger S.; Acocella A.; Pop S.C.; Narumi T.; Yasuoka K.; Beu T.; Zerbetto F.
High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster
2022 Claudia Pigliacelli, Angela Acocella, Isabel Díez, Luca Moretti, Valentina Dichiarante, Nicola Demitri, Hua Jiang, Margherita Maiuri, Robin H. A. Ras, Francesca Baldelli Bombelli, Giulio Cerullo, Francesco Zerbetto, Pierangelo Metrangolo, Giancarlo Terraneo
Imaging, photophysical properties and DFT calculations of manganese blue (barium manganate(vi) sulphate) – a modern pigment
2014 Accorsi, Gianluca; Verri, Giovanni; Acocella, Angela; Zerbetto, Francesco; Lerario, Giovanni; Gigli, Giuseppe; Saunders, David; Billinge, Rachel
Janus-Type Dendrimers Based on Highly Branched Fluorinated Chains with Tunable Self-Assembly and F-19 Nuclear Magnetic Resonance Properties
2022 Marta Rosati, Angela Acocella, Andrea Pizzi, Giorgio Turtù, Giulia Neri, Nicola Demitri, Nonappa, Giuseppina Raffaini, Bertrand Donnio, Francesco Zerbetto, Francesca Baldelli Bombelli, Gabriella Cavallo, Pierangelo Metrangolo
Mapping the modification of ring currents induced by cyclopentafusion on a naphthalene core
2001 Fowler P.W.; Steiner E.; Acocella A.; Jenneskens L.W.; Havenith R.W.A.
Mono- and Bichromatic Electron Dynamics: LiH a Test Case
2006 Acocella A.; Jones G.A.; Zerbetto F.
New insights into the composition of Indian yellow and its use in a Rajasthani wall painting
2018 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 Jones G.A.; Acocella A.; Zerbetto F.
On-the-Fly, Electric-Field-Driven, Coupled Electron-Nuclear Dynamics
2008 Jones G.A.; Acocella A.; Zerbetto F.
One- and two-photon absorption properties of quadrupolar thiophene-based dyes with acceptors of varying strengths
2019 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 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 A. Maris ; A. Acocella
Pyridinedicarboxamide strands form double helices via an activated slippage mechanism
2004 Acocella A.; Venturini A.; Zerbetto F.
Quantum Study of Laser-Induced Initial Activation of Graphite-to-Diamond Conversion
2010 Acocella A.; Carbone F.; Zerbetto F.
Real-Time Observation of Phonon-Mediated Ï-Ï Interband Scattering in MgB2
2017 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.
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| 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 | - |
| 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 | - |
| 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 | - |
| High-resolution crystal structure of a 20 kDa superfluorinated gold nanocluster | Claudia Pigliacelli, Angela Acocella, Isabel Díez, Luca Moretti, Valentina Dichiarante, Nicola De...mitri, Hua Jiang, Margherita Maiuri, Robin H. A. Ras, Francesca Baldelli Bombelli, Giulio Cerullo, Francesco Zerbetto, Pierangelo Metrangolo, Giancarlo Terraneo | 2022-01-01 | NATURE COMMUNICATIONS | - | 1.01 Articolo in rivista | s41467-022-29966-2.pdf; 41467_2022_2966_Supporting_Info.pdf |
| 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; Gig...li, Giuseppe; Saunders, David; Billinge, Rachel | 2014-01-01 | CHEMICAL COMMUNICATIONS | - | 1.01 Articolo in rivista | - |
| Janus-Type Dendrimers Based on Highly Branched Fluorinated Chains with Tunable Self-Assembly and F-19 Nuclear Magnetic Resonance Properties | Marta Rosati, Angela Acocella, Andrea Pizzi, Giorgio Turtù, Giulia Neri, Nicola Demitri, Nonappa,... Giuseppina Raffaini, Bertrand Donnio, Francesco Zerbetto, Francesca Baldelli Bombelli, Gabriella Cavallo, Pierangelo Metrangolo | 2022-01-01 | MACROMOLECULES | - | 1.01 Articolo in rivista | acs.macromol.2c00129.pdf; ma2c00129_si_001.pdf |
| 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, Gi...ovanni; 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 | - |