Sfoglia per Autore
IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA
2014 Angelo Giussani; Francesco Aquilante; Marco Garavelli
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
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
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
2016 Li, Quansong; Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alexander A.; Mukamel, Shaul; Roca-Sanjuán, Daniel; Garavelli, Marco; Blancafort, Lluís
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
On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides
2017 Giussani, Angelo; Marcheselli, Jacopo; Mukamel, Shaul; Garavelli, Marco; Nenov, Artur
Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates
2018 Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukamel Shaul, Garavelli Marco, Rivalta Ivan
Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study
2018 Angelo Giussani; Irene Conti; Artur Nenov; Marco Garavelli
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA | Angelo Giussani; Francesco Aquilante; Marco Garavelli | 2014-01-01 | LA CHIMICA E L'INDUSTRIA | - | 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 | - |
| 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 |
| Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate | Li, Quansong; Giussani, Angelo; Segarra-Martí, Javier; Nenov, Artur; Rivalta, Ivan; Voityuk, Alex...ander A.; Mukamel, Shaul; Roca-Sanjuán, Daniel; Garavelli, Marco; Blancafort, Lluís | 2016-01-01 | CHEMISTRY-A EUROPEAN JOURNAL | - | 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 | - |
| On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides | Giussani, Angelo; Marcheselli, Jacopo; Mukamel, Shaul; Garavelli, Marco; Nenov, Artur | 2017-01-01 | PHOTOCHEMISTRY AND PHOTOBIOLOGY | - | 1.01 Articolo in rivista | - |
| Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates | Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukame...l Shaul, Garavelli Marco, Rivalta Ivan | 2018-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
| Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study | Angelo Giussani; Irene Conti; Artur Nenov; Marco Garavelli | 2018-01-01 | FARADAY DISCUSSIONS | - | 1.01 Articolo in rivista | - |
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile