about
Sequential Proton-Coupled Electron Transfer Mediates Excited-State Deactivation of a Eumelanin Building Block.The IPEA dilemma in CASPT2.Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis.Stepwise photosensitized thymine dimerization mediated by an exciton intermediate.Exciton Localization on Ru-Based Photosensitizers Induced by Binding to Lipid Membranes.Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics.The Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene.Enhancing intersystem crossing in phenotiazinium dyes by intercalation into DNA.Molecular dynamics simulations of binding modes between methylene blue and DNA with alternating GC and AT sequences.Computational Photophysics in the Presence of an Environment.Cyclobutane Thymine Photodimerization Mechanism Revealed by Nonadiabatic Molecular Dynamics.Hydrogen Bonding Regulates the Rigidity of Liposome-Encapsulated Chlorin Photosensitizers.Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM SchemeVibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-NitronaphthaleneSolvent Effects on Electronically Excited States: QM/Continuum Versus QM/Explicit ModelsFinite-temperature Wigner phase-space sampling and temperature effects on the excited-state dynamics of 2-nitronaphthaleneAssessing Configurational Sampling in the Quantum Mechanics/Molecular Mechanics Calculation of Temoporfin Absorption Spectrum and Triplet Density of States.Solvent reorganization triggers photo-induced solvated electron generation in phenolDynamics of CO2 scattering off a perfluorinated self-assembled monolayer. Influence of the incident collision energy, mass effects, and use of different surface modelsQuenching of Charge Transfer in Nitrobenzene Induced by Vibrational MotionBiological evaluation of novel thiomaltol-based organometallic complexes as topoisomerase IIα inhibitors
P50
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P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Juan J Nogueira
@en
Juan J Nogueira
@nl
type
label
Juan J Nogueira
@en
Juan J Nogueira
@nl
prefLabel
Juan J Nogueira
@en
Juan J Nogueira
@nl
P31
P496
0000-0001-7419-5670