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Infrared spectroscopy of the alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for PII/β conformations

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Optical basicity of ionic liquids

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Molecular polarizabilities in aqueous proton transfer reactions

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Hydrogen Redox in Protic Ionic Liquids and a Direct Measurement of Proton Thermodynamics

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Electron free energy levels in oxidic solutions: relating oxidation potentials in aqueous and non-aqueous systems

(2009) C. A. Angell   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

A Comparison of the Acidity Levels in Room-Temperature Ionic Liquids

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Polarizabilities of individual molecules and ions in liquids from first principles

(2008) M Salanne et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Acidity constants from vertical energy gaps: density functional theory based molecular dynamics implementation

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