Fabrizio Santoro

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 51

Top Topics

Molecular Dynamics

Energy Transfer

Top Venues

Journal of chemical theory and computation

Molecules (Basel, Switzerland)

The journal of physical chemistry. B

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Francisco García-González, Juan Carlos Otero, Francisco José Avila Ferrer, Fabrizio Santoro, Daniel Aranda Ruiz
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism. Journal of chemical theory and computation (2024)
Francisco García-González, Juan Carlos Otero, Francisco José Avila Ferrer, Fabrizio Santoro, Daniel Aranda Ruiz
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism. Journal of chemical theory and computation 20 (9) (2024)
Lara Martínez Fernández, James Alexander Green, Luciana Esposito, Martha Yaghoubi Jouybari, Yuyuan Zhang, Fabrizio Santoro, Bern Kohler, Roberto Improta
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study. Chemical science 15 (25) (2024)
Lara Martínez Fernández, James Alexander Green, Luciana Esposito, Martha Yaghoubi Jouybari, Yuyuan Zhang, Fabrizio Santoro, Bern Kohler, Roberto Improta
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study. Chemical science 15 (25) (2024)
Vishal Kumar Jaiswal, Daniel Aranda Ruiz, Vasilis Petropoulos, Piotr Kabaciński, Francesco Montorsi, Lorenzo Uboldi, Simone Ugolini, Shaul Mukamel, Giulio Cerullo, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state. Nature communications 15 (1) (2024)
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, Giacomo Prampolini
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Francisco García-González, Juan Carlos Otero, Francisco José Avila Ferrer, Fabrizio Santoro, Daniel Aranda Ruiz
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism. Journal of chemical theory and computation 20 (9) (2024)
Francisco García-González, Juan Carlos Otero, Francisco José Avila Ferrer, Fabrizio Santoro, Daniel Aranda Ruiz
Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism. Journal of chemical theory and computation 20 (9) (2024)
Vishal Kumar Jaiswal, Daniel Aranda Ruiz, Vasilis Petropoulos, Piotr Kabaciński, Francesco Montorsi, Lorenzo Uboldi, Simone Ugolini, Shaul Mukamel, Giulio Cerullo, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state. Nature communications 15 (1) (2024)
Vishal Kumar Jaiswal, Daniel Aranda Ruiz, Vasilis Petropoulos, Piotr Kabaciński, Francesco Montorsi, Lorenzo Uboldi, Simone Ugolini, Shaul Mukamel, Giulio Cerullo, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Author Correction: Sub-100-fs energy transfer in coenzyme NADH is a coherent process assisted by a charge-transfer state. Nature communications 15 (1) (2024)
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, Giacomo Prampolini
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Maximiliane Horz, Hafiz M A Masood, Hendrik Brunst, Javier Cerezo, David Picconi, Hannah Vormann, Madhava Shyam Niraghatam, Luuk J G W van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt
Vibrationally resolved two-photon electronic spectra including vibrational pre-excitation: Theory and application to VIPER spectroscopy with two-photon excitation. The Journal of chemical physics 158 (6) (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Qiushuang Xu, Yanli Liu, Mei-Shan Wang, Javier Cerezo, Roberto Improta, Fabrizio Santoro
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings. Molecules (Basel, Switzerland) 28 (5) (2023)
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Francesco Montorsi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol. Journal of chemical theory and computation 20 (1) (2023)
Haritha Asha, James A Green, Luciana Esposito, Fabrizio Santoro, Roberto Improta
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. Chirality (2023)
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Francesco Montorsi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol. Journal of chemical theory and computation 20 (1) (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Qiushuang Xu, Yanli Liu, Mei-Shan Wang, Javier Cerezo, Roberto Improta, Fabrizio Santoro
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings. Molecules (Basel, Switzerland) 28 (5) (2023)
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Martha Yaghoubi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions. Journal of chemical theory and computation (2023)
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Francesco Montorsi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol. Journal of chemical theory and computation (2023)
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, Francesco Montorsi, Shaul Mukamel, Marco Garavelli, Fabrizio Santoro, Artur Nenov
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol. Journal of chemical theory and computation 20 (1) (2023)
Qiushuang Xu, Yanli Liu, Mei-Shan Wang, Javier Cerezo, Roberto Improta, Fabrizio Santoro
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings. Molecules (Basel, Switzerland) 28 (5) (2023)
Haritha Asha, James A Green, Luciana Esposito, Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study. The journal of physical chemistry. B 126 (50) (2022)
James A Green, Sandra Gómez, Graham A Worth, Fabrizio Santoro, Roberto Improta
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (57) (2022)
Haritha Asha, James A Green, Luciana Esposito, Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study. The journal of physical chemistry. B 126 (50) (2022)
Haritha Asha, James A Green, Luciana Esposito, Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study. The journal of physical chemistry. B (2022)
Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies. Accounts of chemical research 55 (15) (2022)
James A Green, Sandra Gómez, Graham A Worth, Fabrizio Santoro, Roberto Improta
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (57) (2022)
Haritha Asha, James A Green, Luciana Esposito, Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study. The journal of physical chemistry. B 126 (50) (2022)
Qiushuang Xu, Daniel Aranda Ruiz, Martha Yaghoubi Jouybari, Yanli Liu, Mei-Shan Wang, Javier Cerezo, Roberto Improta, Fabrizio Santoro
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine. The journal of physical chemistry. A 126 (41) (2022)
Daniil A Fedotov, Alexander C Paul, Eirik F Kjønstad, Fabrizio Santoro, Sonia Coriani, Roberto Improta
Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study. Physical chemistry chemical physics : PCCP 24 (8) (2022)
Javier Cerezo, Fabrizio Santoro
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation. Journal of computational chemistry (2022)
Alekos Segalina, Daniel Aranda Ruiz, James A Green, Vito Cristino, Stefano Caramori, Giacomo Prampolini, Mariachiara Pastore, Fabrizio Santoro
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. Journal of chemical theory and computation 18 (6) (2022)
Daniil A Fedotov, Alexander C Paul, Paolo Posocco, Fabrizio Santoro, Marco Garavelli, Eirik F Kjønstad, Sonia Coriani, Roberto Improta
Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. Journal of chemical theory and computation 17 (3) (2021)
James A Green, Martha Yaghoubi Jouybari, Haritha Asha, Fabrizio Santoro, Roberto Improta
Fragment Diabatization Linear Vibronic Coupling Model for Quantum Dynamics of Multichromophoric Systems: Population of the Charge-Transfer State in the Photoexcited Guanine-Cytosine Pair. Journal of chemical theory and computation 17 (8) (2021)
Fabrizio Santoro, James A Green, Lara Martínez Fernández, Javier Cerezo, Roberto Improta
Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives. Physical chemistry chemical physics : PCCP 23 (14) (2021)
Daniel Aranda Ruiz, Fabrizio Santoro
Vibronic Spectra of π-Conjugated Systems with a Multitude of Coupled States: A Protocol Based on Linear Vibronic Coupling Models and Quantum Dynamics Tested on Hexahelicene. Journal of chemical theory and computation 17 (3) (2021)
Martha Yaghoubi Jouybari, James A Green, Roberto Improta, Fabrizio Santoro
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model. The journal of physical chemistry. A 125 (40) (2021)
James A Green, Martha Yaghoubi Jouybari, Daniel Aranda Ruiz, Roberto Improta, Fabrizio Santoro
Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases. Molecules (Basel, Switzerland) 26 (6) (2021)
Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, Fabrizio Santoro
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study. Journal of chemical theory and computation 16 (9) (2020)
Javier Cerezo, Daniel Aranda Ruiz, Francisco José Avila Ferrer, Giacomo Prampolini, Fabrizio Santoro
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed Phase. Journal of chemical theory and computation 16 (2) (2020)
James A Green, Haritha Asha, Fabrizio Santoro, Roberto Improta
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases. Journal of chemical theory and computation 17 (1) (2020)
Xiao Xiao, Stephan K Pedersen, Daniel Aranda Ruiz, Jingjing Yang, Ren A Wiscons, Michael Pittelkow, Michael L Steigerwald, Fabrizio Santoro, Nathaniel J Schuster, Colin P Nuckolls
Chirality Amplified: Long, Discrete Helicene Nanoribbons. Journal of the American Chemical Society 143 (2) (2020)
Daniel Aranda Ruiz, Fabrizio Santoro
The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations. Chirality 32 (7) (2020)
Marco Schmid, Lara Martinez-Fernandez, Dimitra Markovitsi, Fabrizio Santoro, François Hache, Roberto Improta, Pascale Changenet
Unveiling Excited-State Chirality of Binaphthols by Femtosecond Circular Dichroism and Quantum Chemical Calculations. The journal of physical chemistry letters 10 (14) (2019)
Sarah Karbalaei Khani, Rasmus Faber, Fabrizio Santoro, Christof Hättig, Sonia Coriani
UV Absorption and Magnetic Circular Dichroism Spectra of Purine, Adenine, and Guanine: A Coupled Cluster Study in Vacuo and in Aqueous Solution. Journal of chemical theory and computation 15 (2) (2019)
Daniela Kern-Michler, Carsten Neumann, Nicole Mielke, Luuk J G W van Wilderen, Matiss Reinfelds, Jan von Cosel, Fabrizio Santoro, Alexander Heckel, Irene Burghardt, Jens Bredenbeck
Controlling Photochemistry via Isotopomers and IR Pre-excitation. Journal of the American Chemical Society 140 (3) (2018)
Javier Cerezo, Daniel Aranda Ruiz, Francisco José Avila Ferrer, Giacomo Prampolini, Giuseppe Mazzeo, Giovanna Longhi, Sergio Abbate, Fabrizio Santoro
Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol. Chirality 30 (6) (2018)
Fabrizio Santoro, Farinaz Mortaheb, Jörn Lepelmeier, Ulrich Boesl, Ulrich Heiz, Aras Kartouzian
High-Resolution Absorption and Electronic Circular Dichroism Spectra of (R)-(+)-1-Phenylethanol. Confident Interpretation Based on the Synergy between Experiments and Computations. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (6) (2018)
Javier Cerezo, Yanli Liu, Na Lin, Xian Zhao, Roberto Improta, Fabrizio Santoro
Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ*/nπ* Decay of Thymine in Water as a Test Case. Journal of chemical theory and computation 14 (2) (2018)