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The Journal of Physical Chemistry. A|May 11, 2018
Negative Ion Photoelectron Spectroscopy Confirms the Prediction of the Relative Energies of the Low-Lying Electronic States of 2,7-NaphthoquinoneZheng Yang, David A Hrovat, Gao-Lei Hou, et al.The Journal of Physical Chemistry. A|March 15, 2019
Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone DiradicalZheng Yang, David A Hrovat, Gao-Lei Hou, et al.Chemical Science|June 19, 2018
Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground stateDavid A Hrovat, Gao-Lei Hou, Bo Chen, et al.The Journal of Organic Chemistry|March 25, 2005
How important is bishomoaromatic stabilization in determining the relative barrier heights for the degenerate Cope rearrangements of semibullvalene, barbaralane, bullvalene, and dihydrobullvalene?David A Hrovat, Eric C Brown, Richard Vaughan Williams, et al.Journal of the American Chemical Society|April 21, 2005
Factors controlling the barriers to degenerate hydrogen atom transfersChristine Isborn, David A Hrovat, Weston Thatcher Borden, et al.Journal of Chemical Theory and Computation|August 30, 2008
MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET)Mark Lingwood, Jeff R Hammond, David A Hrovat, et al.The Journal of Physical Chemistry. A|July 27, 2013
The ground state of (CS)4 is different from that of (CO)4: an experimental test of a computational prediction by negative ion photoelectron spectroscopyJian Zhang, David A Hrovat, Zhenrong Sun, et al.Journal of the American Chemical Society|July 22, 2009
Nitroxyl radical plus hydroxylamine pseudo self-exchange reactions: tunneling in hydrogen atom transferAdam Wu, Elizabeth A Mader, Ayan Datta, et al.Organic Letters|July 23, 2014
Computational and ¹³C investigations of the diazadienes and oxazadienes formed via the rearrangement of methylenecyclopropyl hydrazones and oximesBo Chen, Mark E Scott, Bruce A Adams, et al.Journal of the American Chemical Society|August 2, 2003
Study of the chemistry of ortho- and para-biphenylnitrenes by laser flash photolysis and time-resolved IR experiments and by B3LYP and CASPT2 calculationsMeng-Lin Tsao, Nina Gritsan, Tammi R James, et al.Pageof 7