J. Cerezo

发表

Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches.

R. Improta, N. Rega, Greta Donati, 2015, The journal of physical chemistry. A.

The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute–Solvent Interactions and Non-Adiabatic Couplings

R. Improta, Javier Cerezo, Meishan Wang, 2023, Molecules.

Solvent effect on the energetics of proton coupled electron transfer in guanine-cytosine pair in chloroform by mixed explicit and implicit solvation models

G. Prampolini, R. Improta, Javier Cerezo, 2018, Chemical Physics.

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

Roberto Improta, Fabrizio Santoro, Javier Cerezo, 2013, Journal of chemical theory and computation.

Vibronic Coupling Explains the Different Shape of Electronic Circular Dichroism and of Circularly Polarized Luminescence Spectra of Hexahelicenes.

Xian Zhao, G. Mazzeo, G. Longhi, 2016, Journal of chemical theory and computation.

Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery

J. Contreras-Garcı́a, J. Zúñiga, A. Requena, 2014, Journal of Molecular Modeling.

Application of parallel blind docking with BINDSURF for the study of platinum derived compounds as anticancer drugs

José M. Cecilia, Baldomero Imbernon, Horacio Emilio Pérez Sánchez, 2014, IWBBIO.

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

Javier Cerezo, F. Santoro, J. Cerezo, 2022, J. Comput. Chem..

Optical Properties of Diarylethenes with TD-DFT: 0-0 Energies, Fluorescence, Stokes Shifts, and Vibronic Shapes.

Javier Cerezo, D. Jacquemin, A. Perrier, 2014, Journal of chemical theory and computation.

Turn on Fluorescence Sensing of Zn2+ Based on Fused Isoindole-Imidazole Scaffold

Javier Cerezo, Yeasin Sikdar, Sanchita Goswami, 2022, Molecules.

A computational study of the vibrationally-resolved electronic circular dichroism spectra of single-chain transoid and cisoid oligothiophenes in chiral conformations.

Javier Cerezo, G. Pescitelli, J. Soto, 2018, Physical chemistry chemical physics : PCCP.

Atomistic molecular dynamics simulations of the interactions of oleic and 2-hydroxyoleic acids with phosphatidylcholine bilayers.

A. Bastida, J. Zúñiga, A. Requena, 2011, The journal of physical chemistry. B.

Structure, Spectra, and DFT Simulation of Nickel Benzazolate Complexes with Tris(2-aminoethyl)amine Ligand.

J. Zúñiga, A. Requena, Javier Cerezo, 2017, Inorganic chemistry.

Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics.

G. Prampolini, Javier Cerezo, P. Foggi, 2019, The journal of physical chemistry letters.

The Adiabatic-Molecular Dynamics|generalized Vertical Hessian approach: a mixed quantum classical method to compute electronic spectra of flexible molecules in condensed phase.

G. Prampolini, Javier Cerezo, F. Santoro, 2019, Journal of chemical theory and computation.