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The Journal of Physical Chemistry. A|January 15, 2009
Calculations of the relative energies of the low-lying electronic states of 2-methylenedihydrophenalene-1,3-diyl: effects of a 1,8-naphtho bridging group on trimethylenemethane and of a vinylidene bridging group on 1,8-naphthoquinodimethaneHao Dong, David A Hrovat, Helmut Quast, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 12, 2014
Heavy-atom tunneling in the ring opening of a strained cyclopropene at very low temperaturesMelanie Ertelt, David A Hrovat, Weston Thatcher Borden, et al.Journal of the American Chemical Society|November 12, 2013
Calculations on tunneling in the reactions of noradamantyl carbenesSebastian Kozuch, Xue Zhang, David A Hrovat, et al.The Journal of Organic Chemistry|May 11, 2004
Reactions of sterically congested 1,5-hexadienes: Ab initio and DFT calculations on the competition between cope rearrangements and disrotatory cyclobutene ring-opening reactions of bridged syn-tricyclo[4.2.0.0(2,5)]octa-3,7-dienesSabine Bethke, David A Hrovat, Weston Thatcher Borden, et al.Journal of the American Chemical Society|October 17, 2009
Calculations predict a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radicalXue Zhang, Ayan Datta, David A Hrovat, et al.Dalton Transactions (Cambridge, England : 2003)|July 18, 2018
A new diphosphine-carbonyl complex of ruthenium: an efficient precursor for C-C and C-N bond coupling catalysisAparajita Mukherjee, David A Hrovat, Michael G Richmond, et al.The Journal of Organic Chemistry|September 17, 2015
Theoretical Analysis of the Fragmentation of (CO)5: A Symmetry-Allowed Highly Exothermic Reaction that Follows a Stepwise PathwayJiajun Liu, Xiaoguang Bao, David A Hrovat, et al.Journal of the American Chemical Society|March 1, 2013
Negative ion photoelectron spectroscopy confirms the prediction that (CO)5 and (CO)6 each has a singlet ground stateXiaoguang Bao, David A Hrovat, Weston Thatcher Borden, et al.Organic Letters|October 7, 2008
Internal dynamics and optical rotations predicted for O(h)- and O-symmetric cubanesDavid A Hrovat, Christine M Isborn, Bart Kahr, et al.Journal of the American Chemical Society|October 16, 2003
DFT calculations on the effects of para substituents on the energy differences between singlet and triplet states of 2,2-difluoro-1,3-diphenylcyclopentane-1,3-diylsDaisy Y Zhang, David A Hrovat, Manabu Abe, et al.Pageof 7