Javier Cerezo

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 31

Top Topics

Molecular Dynamics

Energy Transfer

Top Venues

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Journal of chemical theory and computation

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

Publications

Angela Dellai, Carmelo Naim, Javier Cerezo, Giacomo Prampolini, Frédéric Castet
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations. Physical chemistry chemical physics : PCCP (2024)
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo
Correction to " Ab Initio Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues". The journal of physical chemistry. A 128 (28) (2024)
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo
Correction to " Ab Initio Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues". The journal of physical chemistry. A 128 (28) (2024)
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo
Correction to " Ab Initio Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues". The journal of physical chemistry. A (2024)
Angela Dellai, Carmelo Naim, Javier Cerezo, Giacomo Prampolini, Frédéric Castet
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations. Physical chemistry chemical physics : PCCP 26 (18) (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)
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)
Javier Cerezo, Cristina Garcı A-Iriepa, Fabrizio Santoro, Isabelle Navizet, Giacomo Prampolini
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue. Physical chemistry chemical physics : PCCP (2023)
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)
Mohammad Aarabi, Daniel Aranda Ruiz, Samira Gholami, Santosh Kumar Meena, Frederic Lerouge, Yann Bretonniere, Ilke Gürol, Patrice Baldeck, Stephane Parola, Fabienne Dumoulin, Javier Cerezo, Marco Garavelli, Fabrizio Santoro, Ivan Rivalta
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)
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)
Javier Cerezo, Cristina Garcı A-Iriepa, Fabrizio Santoro, Isabelle Navizet, Giacomo Prampolini
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue. Physical chemistry chemical physics : PCCP 25 (6) (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)
Sutapa Sahu, Yeasin Sikdar, Riya Bag, Javier Cerezo, Jose Pedro Cerón-Carrasco, Sanchita Goswami
Turn on Fluorescence Sensing of Zn 2+ Based on Fused Isoindole-Imidazole Scaffold. Molecules (Basel, Switzerland) 27 (9) (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)
Javier Cerezo, Fabrizio Santoro
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation. Journal of computational chemistry (2022)
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo
Ab Initio Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues. The journal of physical chemistry. A 125 (41) (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)
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)
Alekos Segalina, Javier Cerezo, Giacomo Prampolini, Fabrizio Santoro, Mariachiara Pastore
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution. Journal of chemical theory and computation 16 (11) (2020)
Morteza Eskandari, Juan Carlos Roldao, Javier Cerezo, Begoña Milián-Medina, Johannes Gierschner
Counterion-Mediated Crossing of the Cyanine Limit in Crystals and Fluid Solution: Bond Length Alternation and Spectral Broadening Unveiled by Quantum Chemistry. Journal of the American Chemical Society 142 (6) (2020)
Adolfo Bastida, José Zúñiga, Alberto Requena, Beatriz Miguel, Javier Cerezo
On the Role of Entropy in the Stabilization of α-Helices. Journal of chemical information and modeling 60 (12) (2020)
Adolfo Bastida, Javier Carmona-García, José Zúñiga, Alberto Requena, Javier Cerezo
Intraresidual Correlated Motions in Peptide Chains. Journal of chemical information and modeling 59 (11) (2019)
Adolfo Bastida, José Zúñiga, Alberto Requena, Javier Cerezo
Energetic Self-Folding Mechanism in α-Helices. The journal of physical chemistry. B 123 (39) (2019)
Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, Alessandro Iagatti, Paolo Foggi, Mariachiara Pastore
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics. The journal of physical chemistry letters 10 (11) (2019)
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)
Ismael Galván, Javier Cerezo, Alberto Jorge, Kazumasa Wakamatsu
Molecular vibration as a novel explanatory mechanism for the expression of animal colouration. Integrative biology : quantitative biosciences from nano to macro 10 (8) (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)