SEGARRA MARTI, JAVIER
SEGARRA MARTI, JAVIER
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
2018 GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA
Converging many-body correlation energies by means of sequence extrapolation
2018 Segarra-Marti, Garavelli, Aquilante
Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy
2018 Segarra-Marti Javier, Zvereva Elena, Marazzi Marco, Brazard Johanna, Dumont Elise, Assfeld Xavier, Haacke Stefan, Garavelli Marco, Monari Antonio, Leonard Jeremie, Rivalta Ivan
The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone
2018 Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver, Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio
The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations
2018 Javier Segarra-Martí; Ana J. Pepino; Artur Nenov; Shaul Mukamel; Marco Garavelli; Ivan Rivalta
Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy
2018 Segarra, Nenov, Garavelli, Rivalta, Mukamel Shaul
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
UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level
2018 Ana Julieta Pepino; Javier Segarra-Martí; Artur Nenov; Ivan Rivalta; Roberto Improta; Marco Garavelli
UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene
2018 Nenov Artur, Borrego-Varillas Rocio, Oriana Aurelio, Ganzer Lucia, Segatta Francesco, Conti Irene, Segarra-Marti Javier, Omachi Junko, Dapor Maurizio, Taioli Simone, Manzoni Cristian, Mukamel Shaul, Cerullo Giulio, Garavelli Marco
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
2017 Pepino, Ana Julieta; Segarra-Martí, Javier; Nenov, Artur; Improta, Roberto; Garavelli, Marco
Tracking azobenzene photoisomerization with sub-20-fs UV pulses
2017 Borrego-Varillas, Rocio ;Nenov, Artur ; Oriana, Aurelio; Ganzer, Lucia ; Omachi Junko;Conti, Irene ;Segarra-Marti, Javier ;Manzoni, Cristian ;Garavelli, Marco ;Cerullo, Giulio
Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models
2016 Martínez-Fernández, L.; Pepino, A.J.; Segarra-Martí, J.; Banyasz, A; Garavelli, M.; Improta, R.
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
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
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
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.
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems
2015 Segarra-Martí, Javier; Garavelli, Marco; Aquilante, Francesco
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
A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne
2014 J. Segarra-Martí;P. B. Coto
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations | GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA | 2018-01-01 | JOURNAL OF MOLECULAR MODELING | - | 1.01 Articolo in rivista | - |
| Converging many-body correlation energies by means of sequence extrapolation | Segarra-Marti, Garavelli, Aquilante | 2018-01-01 | THE JOURNAL OF CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | 646495_Converging_postprint+cop.pdf |
| Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy | Segarra-Marti Javier, Zvereva Elena, Marazzi Marco, Brazard Johanna, Dumont Elise, Assfeld Xavier..., Haacke Stefan, Garavelli Marco, Monari Antonio, Leonard Jeremie, Rivalta Ivan | 2018-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 1.01 Articolo in rivista | - |
| The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone | Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver..., Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio | 2018-01-01 | PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES | - | 1.01 Articolo in rivista | - |
| The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations | Javier Segarra-Martí; Ana J. Pepino; Artur Nenov; Shaul Mukamel; Marco Garavelli; Ivan Rivalta | 2018-01-01 | THEORETICAL CHEMISTRY ACCOUNTS | - | 1.01 Articolo in rivista | - |
| Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy | Segarra, Nenov, Garavelli, Rivalta, Mukamel Shaul | 2018-01-01 | TOPICS IN CURRENT CHEMISTRY | - | 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 | - |
| UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level | Ana Julieta Pepino; Javier Segarra-Martí; Artur Nenov; Ivan Rivalta; Roberto Improta; Marco Garav...elli | 2018-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |
| UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene | Nenov Artur, Borrego-Varillas Rocio, Oriana Aurelio, Ganzer Lucia, Segatta Francesco, Conti Irene..., Segarra-Marti Javier, Omachi Junko, Dapor Maurizio, Taioli Simone, Manzoni Cristian, Mukamel Shaul, Cerullo Giulio, Garavelli Marco | 2018-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | JCPL_azobenzenes_revision_final.pdf |
| Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides | Pepino, Ana Julieta; Segarra-Martí, Javier; Nenov, Artur; Improta, Roberto; Garavelli, Marco | 2017-01-01 | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | - | 1.01 Articolo in rivista | JPCL_final.pdf |
| Tracking azobenzene photoisomerization with sub-20-fs UV pulses | Borrego-Varillas, Rocio ;Nenov, Artur ; Oriana, Aurelio; Ganzer, Lucia ; Omachi Junko;Conti, Iren...e ;Segarra-Marti, Javier ;Manzoni, Cristian ;Garavelli, Marco ;Cerullo, Giulio | 2017-01-01 | - | Optical Society of America, 2017 | 4.01 Contributo in Atti di convegno | - |
| Computing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models | Martínez-Fernández, L.; Pepino, A.J.; Segarra-Martí, J.; Banyasz, A; Garavelli, M.; Improta, R. | 2016-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems | Segarra-Martí, Javier; Garavelli, Marco; Aquilante, Francesco | 2015-01-01 | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - | 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 | - |
| A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne | J. Segarra-Martí;P. B. Coto | 2014-01-01 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - | 1.01 Articolo in rivista | - |