about
Peptide-nanowire hybrid materials for selective sensing of small molecules.Stability of lithium superoxide LiO2 in the gas phase: computational study of dimerization and disproportionation reactions.Predicting solvent stability in aprotic electrolyte Li-air batteries: nucleophilic substitution by the superoxide anion radical (O2(•-)).Secondary organic aerosol formation by heterogeneous reactions of aldehydes and ketones: a quantum mechanical study.Molecular orbital differentiation of agonist and antagonist activity in the GlycineB-iGluR-NMDA receptor.Fluorinated boroxin-based anion receptors for lithium ion batteries: fluoride anion binding, ab initio calculations, and ionic conductivity studies.Wax inhibition by comb-like polymers: support of the incorporation-perturbation mechanism from molecular dynamics simulations.Gas sorption and barrier properties of polymeric membranes from molecular dynamics and Monte Carlo simulations.Thermodynamic properties of multifunctional oxygenates in atmospheric aerosols from quantum mechanics and molecular dynamics: dicarboxylic acids.Hildebrand and Hansen solubility parameters from molecular dynamics with applications to electronic nose polymer sensors.Synthesis of and structural studies on repeating sequences of abductinFirst-Principles Based Approaches to Nano-Mechanical and Biomimetic Characterization of Polymer-Based Hydrogel Networks for Cartilage Scaffold-Supported TherapiesBoron-based anion receptors in lithium-ion and metal-air batteriesComputational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based ElectrolytesElucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materialsLinking Molecular Switches to Platinum Electrodes Studied with DFTReversible Intercalation of Fluoride-Anion Receptor Complexes in GraphiteMulti-paradigm multi-scale simulations for fuel cell catalysts and membranesA new alligator-clip compound for molecular electronicsDesign of a nanomechanical fluid control valve based on functionalized silicon cantilevers: coupling molecular mechanics with classical engineering designMolecular Dynamics Study of a Surfactant-Mediated Decane−Water Interface: Effect of Molecular Architecture of Alkyl Benzene SulfonateThe Source of Helicity in PerfluorinatedN-AlkanesThe two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluidsHeterogeneous Inhibition of Homogeneous Reactions: Karstedt Catalyzed HydrosilylationThe MSXX Force Field for the Barium Sulfate−Water InterfaceAtomistic Simulations of Corrosion Inhibitors Adsorbed on Calcite Surfaces I. Force field Parameters for CalciteStrategies for multiscale modeling and simulation of organic materials: polymers and biopolymersThe MS-Q Force Field for Clay Minerals: Application to Oil ProductionMechanism and Energetics for Complexation of90Y with 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid (DOTA), a Model for Cancer RadioimmunotherapyAtomistic Simulations of Oleic Imidazolines Bound to Ferric ClustersThe SAM Model for Wear Inhibitor Performance of Dithiophosphates on Iron OxideSelf-Assembled Monolayer Mechanism for Corrosion Inhibition of Iron by ImidazolinesStructures, Vibrations, and Force Fields of Dithiophosphate Wear Inhibitors fromab InitioQuantum ChemistryMolecular silverware. I. General solutions to excluded volume constrained problemsThe dynamical basis setSimplification of the resonance fluorescence spectrum by detuning from absorption featuresAngular momentum projection operators and molecular bound states
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description
researcher ORCID ID = 0000-0002-9852-2231
@en
wetenschapper
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name
Mario Blanco
@ast
Mario Blanco
@en
Mario Blanco
@es
Mario Blanco
@nl
type
label
Mario Blanco
@ast
Mario Blanco
@en
Mario Blanco
@es
Mario Blanco
@nl
altLabel
Mario Blanco Mata
@en
prefLabel
Mario Blanco
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Mario Blanco
@en
Mario Blanco
@es
Mario Blanco
@nl
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0000-0002-9852-2231