Javier Cerezo

Universidad Autónoma de Madrid — Spain

Physics and Astronomy · Physical Sciences

25h-index2.2kcitations92works3.32yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(35), Photochemistry and Electron Transfer Studies(24), Molecular spectroscopy and chirality(18), Advanced Chemical Physics Studies(11), Protein Structure and Dynamics(8)

Publications92 total

First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck–Condon Approximation
The Journal of Physical Chemistry A·2025
First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck-Condon Approximation
2025Open Access
On the Origin Independent Vibronic Calculation of Electronic Chiroptical Spectroscopies Beyond the Franck-Condon Approximation
2025Open Access
Assessing Nonbonded Aggregates Populations: Application to the Concentration-Dependent IR O–H Band of Phenol
Journal of Chemical Theory and Computation·2025Open Access
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields
Journal of Chemical Theory and Computation·2025· 8 citedOpen Access
Deciphering the Luminescence Spectral Shape of an Oxyluciferin Analogue through a Mixed Quantum-Classical Approach
The Journal of Physical Chemistry B·2025· 2 cited
Assessing non-bonded aggregates populations: application to the concentration-dependent IR O-H band of phenol
2025Open Access
JOYCE3.0: A General Protocol for the Specific Parameterization of Accurate Intramolecular Quantum Mechanically Derived Force-Fields
2025Open Access
New insights into the structure and dynamics of the epigenetic modifications on DNA
RSC Chemical Biology·2025Open Access
Cover Feature: Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene (ChemPhysChem 16/2024)
ChemPhysChem·2024Open Access
Correction to “<i>Ab Initio</i> Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues”
The Journal of Physical Chemistry A·2024Open Access
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
ChemPhysChem·2024· 14 cited
Non-adiabatic direct quantum dynamics using force fields: Toward solvation
The Journal of Chemical Physics·2024· 10 citedOpen Access
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations
Physical Chemistry Chemical Physics·2024· 9 citedOpen Access
Influence of symmetry breaking on the absorption spectrum of crystal violet: from isolated cations at 5 K to room temperature solutions
Physical Chemistry Chemical Physics·2024· 6 citedOpen Access
Unveiling the interaction modes of Imiquimod with DNA: Biophysical and computational studies
Journal of Photochemistry and Photobiology A Chemistry·2023· 15 cited
Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes
Journal of Chemical Theory and Computation·2023· 14 citedOpen Access
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum–Classical Vibronic Approaches—Application to Coumarin C153 in Methanol
Molecules·2023· 13 citedOpen Access
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute–Solvent Interactions and Non-Adiabatic Couplings
Molecules·2023· 6 citedOpen Access
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Frequent Co-authors

Fabrizio Santoro(32), Giacomo Prampolini(13), Francisco J. Ávila Ferrer(11), Roberto Improta(10), José Zúñiga(8), Alberto Requena(8), José P. Cerón‐Carrasco(6), Yanli Liu(5), Adolfo Bastida(5), Daniel Aranda(4), Na Lin(4), Lara Martínez‐Fernández(4), Giuseppe Mazzeo(3), Xian Zhao(3), Giovanna Longhi(3), Sergio Abbate(3), Sonia Coriani(3), Mariachiara Pastore(3), Juan Soto(2), Johannes Gierschner(2)