David A. Hrovat

Affiliations: 
Chemistry University of North Texas, Denton, TX, United States 
Area:
Computational chemistry
Website:
http://chemistry.unt.edu/people/dave-hrovat
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"David A. Hrovat"
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Nicholas J. Turro grad student 1984 Columbia
 (I. Adiabatic photodissociation of aromatic endoperoxide ; II. Biradical and radical pair dynamics in liquid crystalline solvents ; III. Laser flash photo photoysis-transient absorption studies of substitute 2H-azirines)
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Publications

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Yang Z, Hrovat DA, Hou GL, et al. (2019) Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone Diradical. The Journal of Physical Chemistry. A
Hrovat DA, Wang XB, Borden WT. (2018) Calculations on 1,8-naphthoquinone predict that the ground state of this diradical is a singlet. Journal of Computational Chemistry
Yang Z, Hrovat DA, Hou GL, et al. (2018) Negative Ion Photoelectron Spectroscopy Confirms the Prediction of the Relative Energies of the Low-Lying Electronic States of 2,7- Napthoquinone. The Journal of Physical Chemistry. A
Hou GL, Chen B, Transue WJ, et al. (2016) Negative ion photoelectron spectroscopy of PN: electron affinity and electronic structures of PN˙. Chemical Science. 7: 4667-4675
Hrovat DA, Hou GL, Chen B, et al. (2016) Negative ion photoelectron spectroscopy confirms the prediction that carbon trioxide (CO) has a singlet ground state. Chemical Science. 7: 1142-1150
Hou GL, Chen B, Transue WJ, et al. (2016) A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-triazolate Anion, HCPN3(.) The Journal of Physical Chemistry. A
Hrovat DA, Hou GL, Chen B, et al. (2016) Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground state Chemical Science. 7: 1142-1150
Liu J, Bao X, Hrovat DA, et al. (2015) Theoretical Analysis of the Fragmentation of (CO)5: A Symmetry-Allowed Highly Exothermic Reaction that Follows a Stepwise Pathway. The Journal of Organic Chemistry
Hou K, Hrovat DA, Bao X. (2015) Computational exploration of the mechanism of copper-catalyzed aromatic C-H bond amination of benzene via a nitrene insertion approach. Chemical Communications (Cambridge, England)
Hrovat DA, Hou GL, Wang XB, et al. (2015) Negative Ion Photoelectron Spectroscopy Confirms the Prediction that 1,2,4,5-Tetraoxatetramethylenebenzene Has a Singlet Ground State. Journal of the American Chemical Society
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