about
Dynamics, magnetic properties, and electron binding energies of H2O2 in water.A First-Principles Approach to the Dynamics and Electronic Properties of p-Nitroaniline in Water.Filipin orientation revealed by linear dichroism. Implication for a model of action.Energetics of Radical Formation in Eumelanin Building Blocks: Implications for Understanding Photoprotection Mechanisms in Eumelanin.Study of doubly charged alkaline earth metal and 3-azidopropionitrile complexes by electrospray ionization mass spectrometry.Structure and electronic properties of a benzene-water solution.Magnetic properties and core electron binding energies of liquid water.An electrospray ionization mass spectrometry study of azidoacetic acid/transition metal complexes.Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4).Ab initio calculation of the electronic absorption spectrum of liquid water.Probing Lewis Acid-Base Interactions with Born-Oppenheimer Molecular Dynamics: The Electronic Absorption Spectrum of p-Nitroaniline in Supercritical CO2.A first principles approach to the electronic properties of liquid and supercritical CO2.Electronic excitation of Cl- in liquid water and at the surface of a cluster: a sequential Born-Oppenheimer molecular dynamics/quantum mechanics approach.Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: a sequential molecular dynamics/quantum mechanical approach.Electronic Properties in Supercritical FluidsDynamics of endo- vs. exo- complexation and electronic absorption of calix[4]arene-Ar 2Free base phthalocyanine: Influence of thermal effects and dimerization on the electronic absorption spectrumBorn-Oppenheimer molecular dynamics and electronic properties of chlorophyll-c2 in liquid methanolExplicit solvent effects on the visible absorption spectrum of a photosynthetic pigment: Chlorophyll-c2 in methanolDelocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anionDipole polarizability and Rayleigh light scattering by the hydrated electronAzidoacetone as a complexing agent of transition metals Ni2+/Co2+ promoted dissociation of the CC bond in azidoacetoneComplexation of transition metals by 3-azidopropionitrile. An electrospray ionization mass spectrometry studyFirst-principles molecular dynamics of liquid cesium and rubidiumMetastability and weak mixing in classical long-range many-rotator systemsThe changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics studyAb initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clustersA Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of WaterElectron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: AzobenzeneCorrection to "Electron Propagator Theory Approach to the Electron Binding Energies of a Prototypical Photo-Switch Molecular System: Azobenzene"
P50
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P50
description
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wetenschapper
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հետազոտող
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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Benedito J.C. Cabral
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P31
P496
0000-0003-4824-3530