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Chemistry

D-Index
54
Citations
10409
World Ranking
12613
National Ranking
416

Overview

Fabrizio Santoro is affiliated with the National Research Council (CNR) in Italy and specializes in research areas that intersect chemistry and physics. Their work primarily spans fields such as Chemistry and Physics and Astronomy, with a focus on subfields including Atomic and Molecular Physics and Optics, Molecular Biology, Materials Chemistry, Physical and Theoretical Chemistry, and Organic Chemistry.

Their research topics prominently include:

  • Spectroscopy and Quantum Chemical Studies
  • Photochemistry and Electron Transfer Studies
  • DNA and Nucleic Acid Chemistry
  • Photoreceptor and Optogenetics Research
  • Advanced Chemical Physics Studies
  • Synthesis and Properties of Aromatic Compounds
  • Molecular Spectroscopy and Chirality

Fabrizio Santoro has contributed publications to several notable scientific journals. Frequent publication venues include:

  • Journal of Chemical Theory and Computation
  • Physical Chemistry Chemical Physics
  • The Cambridge Structural Database
  • Chemistry - A European Journal
  • The Journal of Chemical Physics

Recent research papers authored or co-authored by Santoro include:

  • "Chirality Amplified: Long, Discrete Helicene Nanoribbons," 2020, Journal of the American Chemical Society
  • "FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation," 2022, Journal of Computational Chemistry
  • "Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function," 2020, The Journal of Chemical Physics
  • "Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study," 2020, Journal of Chemical Theory and Computation
  • "Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies," 2022, Accounts of Chemical Research

The scientist collaborates frequently with several peers in the field, including:

  • Daniel Aranda
  • Roberto Improta
  • Javier Cerezo
  • James A. Green
  • Marco Garavelli

Best Publications

  • Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study

    Fabrizio Santoro;Alessandro Lami;Roberto Improta;Julien Bloino

  • Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution.

    Fabrizio Santoro;Roberto Improta;Alessandro Lami;Julien Bloino

  • Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases

    Roberto Improta;Fabrizio Santoro;Lluís Blancafort

  • Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems

    Vincenzo Barone;Julien Bloino;Malgorzata Biczysko;Fabrizio Santoro

  • Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution

    Fabrizio Santoro;Alessandro Lami;Roberto Improta;Vincenzo Barone

  • Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry.

    Luis Manuel Frutos;Tadeusz Andruniów;Fabrizio Santoro;Nicolas Ferré

  • General Approach to Compute Vibrationally Resolved One-Photon Electronic Spectra

    Julien Bloino;Malgorzata Biczysko;Fabrizio Santoro;Vincenzo Barone

  • Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra.

    Francisco José Avila Ferrer;Fabrizio Santoro

  • Insights for an Accurate Comparison of Computational Data to Experimental Absorption and Emission Spectra: Beyond the Vertical Transition Approximation.

    Francisco J. Avila Ferrer;Javier Cerezo;Emiliano Stendardo;Roberto Improta

  • Going beyond the vertical approximation with time‐dependent density functional theory

    Fabrizio Santoro;Denis Jacquemin;Denis Jacquemin

  • Ab initio calculations of absorption spectra of large molecules in solution: coumarin C153.

    Roberto Improta;Vincenzo Barone;Fabrizio Santoro

  • Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water.

    Fabrizio Santoro;Vincenzo Barone;Thomas Gustavsson;Roberto Improta

  • FCclasses3: Vibrationally‐resolved spectra simulated at the edge of the harmonic approximation

    Unknown

  • Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations

    F. Santoro;Vincenzo Barone;R. Improta

  • Chirality Amplified: Long, Discrete Helicene Nanoribbons.

    Xiao Xiao;Stephan K Pedersen;Stephan K Pedersen;Daniel Aranda;Jingjing Yang

  • Excited-State Behavior of trans and cis Isomers of Stilbene and Stiff Stilbene: A TD-DFT Study

    R. Improta;F. Santoro

  • An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds

    Adalgisa Sinicropi;Elena Martin;Mikhail Ryazantsev;Jan Helbing

  • Excited states decay of the A-T DNA: A PCM/TD-DFT study in aqueous solution of the (9-methyl-adenine)(2).(1-methyl-thymine)(2) stacked tetramer.

    F. Santoro;V. Barone;R. Improta

  • Time‐Independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems

    Malgorzata Biczysko;Julien Bloino;Fabrizio Santoro;Vincenzo Barone

  • First-principle computation of absorption and fluorescence spectra in solution accounting for vibronic structure, temperature effects and solvent inhomogenous broadening

    Francisco José Avila Ferrer;Javier Cerezo;Juan Soto;Roberto Improta

  • Computational Approach to the Study of the Lineshape of Absorption and Electronic Circular Dichroism Spectra

    Fabrizio Santoro;Vincenzo Barone

Frequent Co-Authors

Roberto Improta
Roberto Improta University of Naples Federico II
Vincenzo Barone
Vincenzo Barone Scuola Normale Superiore di Pisa
Massimo Olivucci
Massimo Olivucci University of Siena
Sonia Coriani
Sonia Coriani Technical University of Denmark
Chiara Cappelli
Chiara Cappelli University of Granada
Gennaro Pescitelli
Gennaro Pescitelli University of Pisa
Nina Berova
Nina Berova Columbia University
Kenneth Ruud
Kenneth Ruud University of Tromsø - The Arctic University of Norway
Xian Zhao
Xian Zhao Shandong University

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