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SANTORO, FABRIZIO

SANTORO, FABRIZIO  

Istituto di Chimica dei Composti OrganoMetallici - ICCOM -  

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Titolo Data di pubblicazione Autore(i) File
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
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
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study 1-gen-2022 Asha, Haritha; A Green, James; Esposito, Luciana; Martinezfernandez, Lara; Santoro, Fabrizio; Improta, Roberto
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study 1-gen-2022 Fedotov Daniil, A; Paul Alexander, C; Koch, Henrik; Santoro, Fabrizio; Coriani, Sonia; Improta, Roberto
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach 1-gen-2022 Segalina, Alekos; Aranda, Daniel; A Green, James; Cristino, Vito; Caramori, Stefano; Prampolini, Giacomo; Pastore, Mariachiara; Santoro, Fabrizio
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine 1-gen-2022 Xu, Q.; Aranda, D.; Yaghoubi Jouybari, M.; Liu, Y.; Wang, M.; Cerezo, J.; Improta, R.; Santoro, F.
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies 1-gen-2022 Martinez Fernandez, L; Santoro, F; Improta, R