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Clodoaldo Valverde

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Open access Aug 2026

Car–Parrinello molecular dynamics of QMAP-DMSO microsolvation: first-shell structure and solvent-induced polarization

Directional solute–solvent contacts can influence the electrostatic response of donor–acceptor chromophores, although such local effects are often represented only as averaged contributions in continuum solvent models. Quinolinylaminophenol (QMAP) in dimethyl sulfoxide (DMSO) was examined as an explicit first-shell mic...

Renato Medeiros, Francisco A. P. Osório, Clodoaldo Valverde et al. · 0 citations

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