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

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An improved algorithm for reaction path following

Carlos A. Gonzalez, H. Bernhard Schlegel · The Journal of Chemical Physics · 1989 · 6.1K citations

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The infrared spectra of complex molecules

W.J. O.-T · Journal of Molecular Structure · 1976 · 1.2K citations

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The intrinsic reaction coordinate. An <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> calculation for HNC→HCN and H−+CH4→CH4+H−

Kazuhiro Ishida, Keiji Morokuma, Andrew Komornicki · The Journal of Chemical Physics · 1977 · 872 citations

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