SANTORO, FABRIZIO
SANTORO, FABRIZIO
Istituto di Chimica dei Composti Organo Metallici - ICCOM - Sede Secondaria Pisa
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations
2025 Cantina, Marta; Padula, Daniele; Segalina, Alekos; Giannini, Samuele; Santoro, Fabrizio; Prampolini, Giacomo; Pastore, Mariachiara
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
First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck–Condon Approximation
2025 Quiñonero, José A.; Santoro, Fabrizio; Cerezo, Javier
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
Jahn–Teller Couplings and Exciton Models Reveal Origins of Chiroptical Activity in Symmetric Cyclic π-Conjugated Systems
2025 Aranda, Daniel; Alonso-Gómez, José Lorenzo; Santoro, Fabrizio
Modelling the role of internal flexibility and inter-state couplings modulated by an explicit environment in the absorption spectrum of coelenteramide
2025 Aarabi, Mohammad; Gholami, Samira; Giannini, Samuele; Garavelli, Marco; Prampolini, Giacomo; Santoro, Fabrizio
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization
2025 Aarabi, Mohammad; Marsili, Emanuele; Olivucci, Massimo; Lauvergnat, David; Agostini, Federica; Garavelli, Marco; Santoro, Fabrizio
Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the Lhca4 Antenna of Photosystem I
2025 Saraceno, Piermarco; Santoro, Fabrizio; Cupellini, Lorenzo
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