SEGARRA MARTI, JAVIER
SEGARRA MARTI, JAVIER
DIPARTIMENTO DI CHIMICA "GIACOMO CIAMICIAN"
A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne
2014 J. Segarra-Martí;P. B. Coto
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
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.
Converging many-body correlation energies by means of sequence extrapolation
2018 Segarra-Marti, Garavelli, Aquilante
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.
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
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems
2015 Segarra-Martí, Javier; Garavelli, Marco; Aquilante, Francesco
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
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
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
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
2017 Pepino, Ana Julieta; Segarra-Martí, Javier; Nenov, Artur; Improta, Roberto; 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
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
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
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
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
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
| Titolo | Autore(i) | Anno | Periodico | Editore | Tipo | File |
|---|---|---|---|---|---|---|
| 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 | - |
| 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 | - |
| 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 | - |
| 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 |
| 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 | - |
| 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 |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 | - |
| 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 |