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  • Characterization and spectroscopic analysis of phenol–ethanol hydrogen bonded clusters (2010)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA MÉTODO DE MONTE CARLO ANÁLISE ESPECTROSCÓPICA ETANOL

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  • Many-body energy decomposition of hydrogen-bonded glycine clusters in gas-phase (2010)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA

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  • Photophysics and photostability of adenine in aqueous solution: a theoretical study (2010)

    In: Chemical Physics Letters

    Subjects: SOLUÇÕES AQUOSAS SOLVENTE

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  • Dipole polarizability and Rayleigh light scattering by the hydrated electron (2009)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA POLARIZAÇÃO

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  • Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory (2008)

    In: Journal of the Brazilian Chemical Society

    Subjects: MECÂNICA QUÂNTICA

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  • Analyzing the n->``pi´ POT.*´ electronic transition of formaldehyde in water. a sequential Monte Carlo/time-dependent density functional theory: correction (2008)

    In: Journal of the Brazilian Chemical Society

    Subjects: MECÂNICA QUÂNTICA

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  • 2-Aminopurine non-radiative decay and emission in aqueous solution: a theoretical study (2008)

    In: Chemical Physics Letters

    Subjects: MÉTODO DE MONTE CARLO

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  • Calculations of vibrational frequencies, Raman activities and degrees of depolarization for complexes involving water, methanol and ethanol (2008)

    In: Chemical Physics Letters

    Subjects: ESPECTROSCOPIA INFRAVERMELHA ESTRUTURA ELETRÔNICA

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  • Isotropi and anisotropic NMR chemical shifts in liquid water: a sequential QM/MM study (2007)

    In: Journal of the Brazilian Chemical Society

    Subjects: MÉTODO DE MONTE CARLO MÉTODOS MCMC

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  • On the relative abundance and interconversion of the two lowest isomers of `AIP IND.3´ (2007)

    In: Chemical Physics Letters

    Subjects: ESTRUTURA ELETRÔNICA

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  • An efficient statistically converged average configuration for solvent effects (2007)

    In: Chemical Physics Letters

    Subjects: MÉTODO DE MONTE CARLO MÉTODOS MCMC MECÂNICA QUÂNTICA

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  • Converged electronic polarization of acetone in liquid water and the role in the 'n-'pi'POT.*' transition (2006)

    In: Chemical Physics Letters

    Subjects: MÉTODO DE MONTE CARLO MECÂNICA QUÂNTICA

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  • Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: basis-set extrapolated density functionaltheory and coupled cluster calculations (2006)

    In: Chemical Physics Lettes

    Subjects: FÍSICO-QUÍMICA GRAVIMETRIA

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  • Electron binding energies of water clusters: implications for the electronic properties of liquid water (2006)

    In: Chemical Physics Letters

    Subjects: MÉTODO DE MONTE CARLO MECÂNICA QUÂNTICA

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  • A look inside the cavity of hydrated alphacyclodextrin: a computer simulation study (2005)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA MÉTODO DE MONTE CARLO MÉTODOS MCMC

  • The relative stability of the two isomers of "AlP IND.3" (2005)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA ESTRUTURA ELETRÔNICA SUPERFÍCIE FÍSICA

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  • Electronic polarization in liquid acetonitrile: a sequential Monte Carlo/quantum mechanics investigation (2005)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA MECÂNICA QUÂNTICA MÉTODO DE MONTE CARLO MÉTODOS MCMC ESPECTROSCOPIA MOLECULAR

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  • The low-lying electronic states of the GaN molecule (2005)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA ESTRUTURA ELETRÔNICA

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  • Relative strengh of hydrogen bond interaction in alcohol-water complexes (2004)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA QUÍMICA QUÂNTICA ESPECTROSCOPIA ATÔMICA

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  • Can larger dipoles solvate less?: solute-solvent hydrogen bond and the differential solvation of phenol and phenoxy (2004)

    In: Chemical Physics Letters

    Subjects: FÍSICO-QUÍMICA MECÂNICA QUÂNTICA MÉTODO DE MONTE CARLO QUÍMICA QUÂNTICA

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