Thermodynamic, spectroscopic and DFT studies of binary mixtures of poly(vinylpyrrolidone) (PVP) with ethanol, 1-propanol and 1-butanol

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Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density

Uwe Koch, Paul L. A. Popelier · The Journal of Physical Chemistry · 1995 · 3.1K citations

Natural Sciences, Chemistry, Inorganic Chemistry +12

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

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The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

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Natural Sciences, Chemistry, Computational Chemistry +9

The Viscous Flow of Large Molecules

Walter Kauzmann, Henry Eyring · Journal of the American Chemical Society · 1940 · 624 citations

Natural Sciences, Chemistry, Analytical Chemistry +6