SANTORO, FABRIZIO
SANTORO, FABRIZIO
Istituto di Chimica dei Composti Organo Metallici - ICCOM - Sede Secondaria Pisa
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach
2025 Moumene, Houda; Prampolini, Giacomo; García-Iriepa, Cristina; Cerezo, Javier; Navizet, Isabelle; Santoro, Fabrizio
Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine–Cytosine Stacked Dimers: A Quantum Dynamical Investigation
2025 Aarabi, Mohammad; Yaghoubi Jouybari, Martha; Xu, Qiushuang; Garavelli, Marco; Santoro, Fabrizio; Improta, Roberto
Helical Ladder Oligomers Exhibit Amplified Circularly Polarized Emission
2025 Bræstrup, Christoffer; Xiao, Xiao; García‐gonzález, Francisco; Brock‐nannestad, Theis; Aranda, Daniel; Bao, Si Tong; Cavlovic, Daniel; Jiang, Haoyu; Ng, Fay; Nuckolls, Colin; Santoro, Fabrizio; Pittelkow, Michael
Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor
2024 Giannini, Samuele; Cerdá, Jesús; Prampolini, Giacomo; Santoro, Fabrizio; Beljonne, David
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
2024 Cerezo, Javier; Gierschner, Johannes; Santoro, Fabrizio; Prampolini, Giacomo
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
2024 Schäfer, Alexander; Giannini, Samuele; Strelnikov, Dmitry; Mohr, Theresa; Santoro, Fabrizio; Cerezo, Javier; Kappes, Manfred M.
Linear vibronic coupling approach for surface-enhanced Raman scattering: quantifying the charge-transfer enhancement mechanism
2024 García-González, Francisco; Otero, Juan Carlos; Ávila Ferrer, Francisco J.; Santoro, Fabrizio; Aranda, Daniel
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
2024 Cigrang, L. L. E.; Green, J. A.; Gómez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A.
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state
2024 Jaiswal, Vishal Kumar; Aranda Ruiz, Daniel; Petropoulos, Vasilis; Kabaciński, Piotr; Montorsi, Francesco; Uboldi, Lorenzo; Ugolini, Simone; Mukamel, Shaul; Cerullo, Giulio; Garavelli, Marco; Santoro, Fabrizio; Nenov, Artur
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study
2024 Martinez-Fernandez, L.; Green, J. A.; Esposito, L.; Jouybari, M. Y.; Zhang, Y.; Santoro, F.; Kohler, B.; Improta, R.
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol
2024 Segatta, F.; Aranda, D.; Aleotti, F.; Montorsi, F.; Mukamel, S.; Garavelli, M.; Santoro, F.; Nenov, A.
Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization
2023 Asha, H; Green, Ja; Esposito, L; Santoro, F; Improta, R
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation
2023 Cerezo, J; Santoro, F
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol
2023 Cerezo, Javier; Gao, Sheng; Armaroli, Nicola; Ingrosso, Francesca; Prampolini, Giacomo; Santoro, Fabrizio; Ventura, Barbara; Pastore, Mariachiara
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions
2023 Segatta, Francesco; Aranda, Daniel; Aleotti, Flavia; Yaghoubi, Martha; Mukamel, Shaul; Garavelli, Marco; Santoro, Fabrizio; Nenov, Artur
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
2023 Aarabi, Mohammad; Aranda, Daniel; Gholami, Samira; Kumar Meena, Santosh; Lerouge, Frederic; Bretonniere, Yann; Gurol, Ilke; Baldeck, Patrice; Parola, Stephane; Dumoulin, Fabienne; Cerezo, Javier; Garavelli, Marco; Santoro, Fabrizio; Rivalta, Ivan
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach
2023 Montorsi, Francesco; Aranda, Daniel; Garavelli, Marco; Santoro, Fabrizio; Segatta, Francesco
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings
2023 Xu, Qiushuang; Liu, Y; Wang, M; Cerezo, J; Improta, R; Santoro, F
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue
2023 Cerezo, Javier; Garcia Iriepa, Cristina; Santoro, Fabrizio; Navizet, Isabelle; Prampolini, Giacomo
Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation
2023 Horz, M; Masood, Hma; Brunst, H; Cerezo, J; Picconi, D; Vormann, H; Niraghatam, Ms; Van Wilderen, Ljgw; Bredenbeck, J; Santoro, F; Burghardt, I
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach | 1-gen-2025 | Moumene, Houda; Prampolini, Giacomo; García-Iriepa, Cristina; Cerezo, Javier; Navizet, Isabelle; Santoro, Fabrizio | |
| Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine–Cytosine Stacked Dimers: A Quantum Dynamical Investigation | 1-gen-2025 | Aarabi, Mohammad; Yaghoubi Jouybari, Martha; Xu, Qiushuang; Garavelli, Marco; Santoro, Fabrizio; Improta, Roberto | |
| Helical Ladder Oligomers Exhibit Amplified Circularly Polarized Emission | 1-gen-2025 | Bræstrup, Christoffer; Xiao, Xiao; García‐gonzález, Francisco; Brock‐nannestad, Theis; Aranda, Daniel; Bao, Si Tong; Cavlovic, Daniel; Jiang, Haoyu; Ng, Fay; Nuckolls, Colin; Santoro, Fabrizio; Pittelkow, Michael | |
| Dissecting the nature and dynamics of electronic excitations in a solid-state aggregate of a representative non-fullerene acceptor | 1-gen-2024 | Giannini, Samuele; Cerdá, Jesús; Prampolini, Giacomo; Santoro, Fabrizio; Beljonne, David | |
| Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene | 1-gen-2024 | Cerezo, Javier; Gierschner, Johannes; Santoro, Fabrizio; Prampolini, Giacomo | |
| Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions | 1-gen-2024 | Schäfer, Alexander; Giannini, Samuele; Strelnikov, Dmitry; Mohr, Theresa; Santoro, Fabrizio; Cerezo, Javier; Kappes, Manfred M. | |
| Linear vibronic coupling approach for surface-enhanced Raman scattering: quantifying the charge-transfer enhancement mechanism | 1-gen-2024 | García-González, Francisco; Otero, Juan Carlos; Ávila Ferrer, Francisco J.; Santoro, Fabrizio; Aranda, Daniel | |
| Non-adiabatic direct quantum dynamics using force fields: Toward solvation | 1-gen-2024 | Cigrang, L. L. E.; Green, J. A.; Gómez, S.; Cerezo, J.; Improta, R.; Prampolini, G.; Santoro, F.; Worth, G. A. | |
| Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state | 1-gen-2024 | Jaiswal, Vishal Kumar; Aranda Ruiz, Daniel; Petropoulos, Vasilis; Kabaciński, Piotr; Montorsi, Francesco; Uboldi, Lorenzo; Ugolini, Simone; Mukamel, Shaul; Cerullo, Giulio; Garavelli, Marco; Santoro, Fabrizio; Nenov, Artur | |
| The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study | 1-gen-2024 | Martinez-Fernandez, L.; Green, J. A.; Esposito, L.; Jouybari, M. Y.; Zhang, Y.; Santoro, F.; Kohler, B.; Improta, R. | |
| Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol | 1-gen-2024 | Segatta, F.; Aranda, D.; Aleotti, F.; Montorsi, F.; Mukamel, S.; Garavelli, M.; Santoro, F.; Nenov, A. | |
| Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization | 1-gen-2023 | Asha, H; Green, Ja; Esposito, L; Santoro, F; Improta, R | |
| FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation | 1-gen-2023 | Cerezo, J; Santoro, F | |
| Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches--Application to Coumarin C153 in Methanol | 1-gen-2023 | Cerezo, Javier; Gao, Sheng; Armaroli, Nicola; Ingrosso, Francesca; Prampolini, Giacomo; Santoro, Fabrizio; Ventura, Barbara; Pastore, Mariachiara | |
| Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions | 1-gen-2023 | Segatta, Francesco; Aranda, Daniel; Aleotti, Flavia; Yaghoubi, Martha; Mukamel, Shaul; Garavelli, Marco; Santoro, Fabrizio; Nenov, Artur | |
| Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes | 1-gen-2023 | Aarabi, Mohammad; Aranda, Daniel; Gholami, Samira; Kumar Meena, Santosh; Lerouge, Frederic; Bretonniere, Yann; Gurol, Ilke; Baldeck, Patrice; Parola, Stephane; Dumoulin, Fabienne; Cerezo, Javier; Garavelli, Marco; Santoro, Fabrizio; Rivalta, Ivan | |
| Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach | 1-gen-2023 | Montorsi, Francesco; Aranda, Daniel; Garavelli, Marco; Santoro, Fabrizio; Segatta, Francesco | |
| The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings | 1-gen-2023 | Xu, Qiushuang; Liu, Y; Wang, M; Cerezo, J; Improta, R; Santoro, F | |
| Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue | 1-gen-2023 | Cerezo, Javier; Garcia Iriepa, Cristina; Santoro, Fabrizio; Navizet, Isabelle; Prampolini, Giacomo | |
| Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation | 1-gen-2023 | Horz, M; Masood, Hma; Brunst, H; Cerezo, J; Picconi, D; Vormann, H; Niraghatam, Ms; Van Wilderen, Ljgw; Bredenbeck, J; Santoro, F; Burghardt, I |