Water exchange on metal ions: experiments and simulations

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R. D. Shannon · Acta Crystallographica Section A · 1976 · 63.5K citations

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Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.6K citations · Full text

Molecular Solid, Crystalline Silicon, Engineering +15

Solvent-Accessible Surfaces of Proteins and Nucleic Acids

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Manfred Eigen · Pure and Applied Chemistry · 1963 · 528 citations

Inorganic Chemistry, Chemical Engineering, Ligand Substitution +15

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Chr. Klixbüll Jørgensen · Journal of the Franklin Institute · 1966 · 472 citations

Inorganic Chemistry, Engineering, Chemical Transformation +5