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Electron Density, Chemical Thermodynamics, Engineering +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Electron Density, Gradient Expansions, Engineering +14

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Organic Molecules, Engineering, Conformational Energetics +13

The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.1K citations

Engineering, Chemical Analysis, Altmetric Attention Score +18

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

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Direct Utilizaion, Solvent Effects, Physics +8