about
Understanding DNA under oxidative stress and sensitization: the role of molecular modelingProbing the reactivity of singlet oxygen with purines.Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model.Conformational polymorphism or structural invariance in DNA photoinduced lesions: implications for repair rates.Photophysical properties of ruthenium(II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory.The Effect of the Basis-Set Superposition Error on the Calculation of Dispersion Interactions: A Test Study on the Neon Dimer.Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization.Editorial: Radiation-induced and oxidative DNA damages.Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy, and Cellular Biology.Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics.From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents.Correlation of bistranded clustered abasic DNA lesion processing with structural and dynamic DNA helix distortion.Interfacial charge separation and photovoltaic efficiency in Fe(ii)-carbene sensitized solar cells.Theoretical study of the absorption spectrum of a photoisomerizable iron complex.Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process.Charge transfer and mixed-valence behavior in phtalocyanine-dimer cations.Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not "Float".Insight on the interaction of polychlorobiphenyl with nucleic acid-base.Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations.Photophysics of the Singlet Oxygen Sensor Green Chromophore: Self-Production of (1)O2 Explained by Molecular Modeling.Restoring the size consistency of multireference configuration interactions through class dressings: applications to ground and excited states.Photophysics of acetophenone interacting with DNA: why the road to photosensitization is open.Probing halogen-halogen interactions in solution.The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone.Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations.Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA.Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory.Deciphering the photosensitization mechanisms of hypericin towards biological membranes.Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity.From Physical Mixtures to Co-Crystals: How the Coformers Can Modify Solubility and Biological Activity of Carbamazepine.Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing.Thermodynamics of DNA: sensitizer recognition. Characterizing binding motifs with all-atom simulations.Repair Rate of Clustered Abasic DNA Lesions by Human Endonuclease: Molecular Bases of Sequence Specificity.Toward a Quantitative Assessment of Electronic Transitions' Charge-Transfer Character.Theoretical study of new ruthenium-based dyes for dye-sensitized solar cells.A QM/MM study of the absorption spectrum of harmane in water solution and interacting with DNA: the crucial role of dynamic effects.A theoretical study of Be(N) linear chains: variational and perturbative approaches.Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules.Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy.
P50
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Antonio Monari
@ast
Antonio Monari
@en
Antonio Monari
@es
Antonio Monari
@nl
type
label
Antonio Monari
@ast
Antonio Monari
@en
Antonio Monari
@es
Antonio Monari
@nl
prefLabel
Antonio Monari
@ast
Antonio Monari
@en
Antonio Monari
@es
Antonio Monari
@nl
P108
P1053
F-6333-2012
P106
P1153
22985830400
P21
P2456
P2798
P31
P3829
P4450
antonio-monari
P496
0000-0001-9464-1463