Molecular structures of gauche and trans conformers for oxalyl chloride: ab initio and DFT calculations

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

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Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

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Quadratic configuration interaction. A general technique for determining electron correlation energies

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A direct MP2 gradient method

Michael J. Frisch, Martin Head‐Gordon, John A. Pople · Chemical Physics Letters · 1990 · 1.8K citations

Natural Sciences, Computer Science, Mathematics +5