Sfoglia per Autore
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach
2014 Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli
Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins
2014 Ivan Rivalta;Artur Nenov;Marco Garavelli
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles
2014 Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli
Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study
2014 Artur Nenov;Silvio a Beccara;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli
Making fast photoswitches faster - Using hammett analysis to understand the limit of donor-acceptor approaches for faster hemithioindigo photoswitches
2014 Maerz, Benjamin; Wiedbrauk, Sandra; Oesterling, Sven; Samoylova, Elena; Nenov, Artur; Mayer, Peter; De Vivie-Riedle, Regina; Zinth, Wolfgang; Dube, Henry*
Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin
2014 Ivan Rivalta;Artur Nenov;Oliver Weingart;Giulio Cerullo;Marco Garavelli;Shaul Mukamel
Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian
2014 Artur Nenov;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli
Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back
2015 Conti, I.; Nenov, A.; Hoefinger, S.; Altavilla, S. F.; Rivalta, I.; Dumont, E.; Orlandi, G.; Garavelli, M.
Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations
2015 Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
2015 Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.; Garavelli, M.
Spectral lineshapes in nonlinear electronic spectroscopy
2015 Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P.; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco
Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate
2015 Altavilla, Salvatore F.; Segarra-Martí, Javier; Nenov, Artur; Conti, Irene; Rivalta, Ivan; Garavelli, Marco
Anilino-Substituted Multicyanobuta-1,3-diene Electron Acceptors: TICT Molecules with Accessible Conical Intersections
2015 Monti, Filippo; Venturini, Alessandro*; Nenov, Artur; Tancini, Francesca; Finke, Aaron D.; Diederich, François; Armaroli, Nicola
Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy
2015 Polli, D.; Rivalta, I.; Nenov, A.; Weingart, O.; Garavelli, M.; Cerullo, G.
Tuning of isomerization rates in indigo-based photoswitches
2015 Samoylova, E.*; Maerz, B.; Wiedbrauk, S.; Oesterling, S.; Nenov, A.; Dube, H.; de Vivie-Riedle, R.; Zinth, W.
Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol
2015 Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan
Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra
2016 Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Tolomelli, Alessandra; Mukamel, Shaul; Garavelli, Marco
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
2016 Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Mickaël G.; De Vico, Luca; Ignacio, Fdez. Galván; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels
2016 Demoulin, Baptiste; El-Tahawy, Mohsen M. T.; Nenov, Artur; Garavelli, Marco; Le Bahers, Tangui
Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment
2016 Bonvicini, Andrea; Demoulin, Baptiste; Altavilla, Salvatore F.; Nenov, Artur; El-Tahawy, Mohsen M. T.; Segarra-Martí, Javier; Giussani, Angelo; Batista, Victor S.; Garavelli, Marco; Rivalta, Ivan
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach | Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli | 2014-01-01 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins | Ivan Rivalta;Artur Nenov;Marco Garavelli | 2014-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles | Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli | 2014-01-01 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study | Artur Nenov;Silvio a Beccara;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli | 2014-01-01 | CHEMPHYSCHEM | - | 1.01 Articolo in rivista | - |
| Making fast photoswitches faster - Using hammett analysis to understand the limit of donor-acceptor approaches for faster hemithioindigo photoswitches | Maerz, Benjamin; Wiedbrauk, Sandra; Oesterling, Sven; Samoylova, Elena; Nenov, Artur; Mayer, Pete...r; De Vivie-Riedle, Regina; Zinth, Wolfgang; Dube, Henry* | 2014-01-01 | CHEMISTRY-A EUROPEAN JOURNAL | - | 1.01 Articolo in rivista | - |
| Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin | Ivan Rivalta;Artur Nenov;Oliver Weingart;Giulio Cerullo;Marco Garavelli;Shaul Mukamel | 2014-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | - | 1.01 Articolo in rivista | - |
| Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian | Artur Nenov;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli | 2014-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | - |
| Excited state evolution of DNA stacked adenines resolved at the CASPT2//CASSCF/Amber level: from the bright to the excimer state and back | Conti, I.; Nenov, A.; Hoefinger, S.; Altavilla, S. F.; Rivalta, I.; Dumont, E.; Orlandi, G.; Gara...velli, M. | 2015-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations | Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise...; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco | 2015-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
| Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy | Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.;... Garavelli, M. | 2015-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Spectral lineshapes in nonlinear electronic spectroscopy | Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P.; Rivalta, Ivan; Dumont, Elise; Mukamel, Sh...aul; Garavelli, Marco | 2015-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate | Altavilla, Salvatore F.; Segarra-Martí, Javier; Nenov, Artur; Conti, Irene; Rivalta, Ivan; Garave...lli, Marco | 2015-01-01 | FRONTIERS IN CHEMISTRY | - | 1.01 Articolo in rivista | - |
| Anilino-Substituted Multicyanobuta-1,3-diene Electron Acceptors: TICT Molecules with Accessible Conical Intersections | Monti, Filippo; Venturini, Alessandro*; Nenov, Artur; Tancini, Francesca; Finke, Aaron D.; Dieder...ich, François; Armaroli, Nicola | 2015-01-01 | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | - | 1.01 Articolo in rivista | - |
| Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy | Polli, D.; Rivalta, I.; Nenov, A.; Weingart, O.; Garavelli, M.; Cerullo, G. | 2015-01-01 | PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES | - | 1.01 Articolo in rivista | - |
| Tuning of isomerization rates in indigo-based photoswitches | Samoylova, E.*; Maerz, B.; Wiedbrauk, S.; Oesterling, S.; Nenov, A.; Dube, H.; de Vivie-Riedle, R....; Zinth, W. | 2015-01-01 | SPRINGER PROCEEDINGS IN PHYSICS | Springer Science and Business Media, LLC | 4.01 Contributo in Atti di convegno | - |
| Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol | Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan | 2015-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra | Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Tolomelli, Alessandra; Muka...mel, Shaul; Garavelli, Marco | 2016-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
| Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table | Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; Chibotaru, Liviu F.; Delcey, Micka...ël G.; De Vico, Luca; Ignacio, Fdez. Galván; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E.; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G.; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P.; Weingart, Oliver; Zapata, Felipe; Lindh, Roland | 2016-01-01 | JOURNAL OF COMPUTATIONAL CHEMISTRY | - | 1.01 Articolo in rivista | JCC_Molcas_post-print.pdf |
| Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels | Demoulin, Baptiste; El-Tahawy, Mohsen M. T.; Nenov, Artur; Garavelli, Marco; Le Bahers, Tangui | 2016-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
| Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment | Bonvicini, Andrea; Demoulin, Baptiste; Altavilla, Salvatore F.; Nenov, Artur; El-Tahawy, Mohsen M.... T.; Segarra-Martí, Javier; Giussani, Angelo; Batista, Victor S.; Garavelli, Marco; Rivalta, Ivan | 2016-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
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