NMR techniques for the investigation of solvation phenomena and non-covalent interactions

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

Natural Sciences, Materials Science, Physics +15

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

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Electric Moments of Molecules in Liquids

Lars Onsager · Journal of the American Chemical Society · 1936 · 5.3K citations

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<i>Principles of Nuclear Magnetic Resonance in One and Two Dimensions</i>

Richard R. Ernst, Geoffrey Bodenhausen, Alexander Wokaun et al. · Physics Today · 1989 · 4.2K citations

Natural Sciences, Chemistry, Physics +17