David A. Hrovat

Calculations on 1,8‐naphthoquinone predict that the ground state of this diradical is a singlet

David A. Hrovat, Xue-Bin Wang, Weston Thatcher Borden, 2018, J. Comput. Chem..

B3LYP calculations on bishomoaromaticity in substituted semibullvalenes*

David A. Hrovat, Weston Thatcher Borden, Richard Vaughan Williams, 2001, J. Comput. Chem..

CASSCF calculations find that a D8h geometry is the transition state for double bond shifting in cyclooctatetraene

David A. Hrovat, Weston Thatcher Borden, D. Hrovat, 1992 .

A Becke3LYP/6-31G* Study of the Cope Rearrangements of Substituted 1,5-Hexadienes Provides Computational Evidence for a Chameleonic Transition State

K. N. Houk, David A. Hrovat, Weston Thatcher Borden, 1999 .

The Cope rearrangement revisited again. Results of ab initio calculations beyond the CASSCF level. [Erratum to document cited in CA120:106195]

Keiji Morokuma, David A. Hrovat, Weston Thatcher Borden, 1994 .

State-selective photochemistry of singlet oxygen precursors: kinetics and wavelength dependence of the photodissociation of anthracene endoperoxides

Nicholas J. Turro, David A. Hrovat, K. Eisenthal, 1986 .

Cooperative and Competitive Substituent Effects on the Cope Rearrangements of Phenyl-Substituted 1,5-Hexadienes Elucidated by Becke3LYP/6-31G* Calculations

David A. Hrovat, Weston Thatcher Borden, D. Hrovat, 2000 .

A Computational Study of the Interactions among the Nitro Groups in Octanitrocubane

Bart Kahr, Philip E. Eaton, David A. Hrovat, 2001 .