Vanadiumoxo–aroylhydrazone complexes: Synthesis, structure and DFT calculations

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An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

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Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

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R. F. W. Bader · The Journal of Physical Chemistry A · 1998 · 1.7K citations

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