Jordan D Enyard

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A wide range of density functional theory (DFT) methods (37 altogether), including pure, hybrid, range-separated hybrid, double-hybrid, and dispersion-corrected functionals, have been employed to compute the harmonic vibrational frequencies of eight small water clusters ranging in size from the dimer to four different isomers of the hexamer. These computed(More)
The excited states of the 1 (1)A' :C≡C-C̈-R(-) family and related anions are investigated. Previous work has shown that 1 (1)A' C3H(-) and CCSiH(-) each possess a rare valence excited state in addition to their dipole-bound excited states. A similar methodology to that employed previously shows that related anions (C3OH(-), C3NC(-), C4N(-), C5H(-), and(More)
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