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The Journal of Physical Chemistry. A|November 20, 2010
Density functional steric analysis of linear and branched alkanesDaniel H Ess, Shubin Liu, Frank De ProftThe Journal of Physical Chemistry. A|April 22, 2011
Density functional reactivity theory characterizes charge separation propensity in proton-coupled electron transfer reactionsShubin Liu, Daniel H Ess, Cynthia K SchauerInorganic Chemistry|June 6, 2012
Theory of late-transition-metal alkyl and heteroatom bonding: analysis of Pt, Ru, Ir, and Rh complexesDeepa Devarajan, T Brent Gunnoe, Daniel H EssOrganic Letters|October 22, 2013
Enantio- and diastereoselective synthesis of syn-β-hydroxy-α-vinyl carboxylic esters via reductive aldol reactions of ethyl allenecarboxylate with 10-TMS-9-Borabicyclo[3.3.2]decane and DFT analysis of the hydroboration pathwayJeremy Kister, Daniel H Ess, William R RoushInorganic Chemistry|April 14, 2025
Origin of Intramolecular versus Intermolecular C-H Arene Activation Selectivity by Cyclopentadienyl-Triphenylphosphine IridiumBowen Zhang, Daniel H Ess, Michael B HallChemical Science|October 20, 2025
Dynamics-based transition states reveal solvent cage effect and SN2 transition state motion in Lewis acid catalyzed stereoselective tertiary alcohol nucleophilic substitution reactionsAnthony J Schaefer, Trevor Mallavia, Daniel H EssJournal of the American Chemical Society|October 29, 2010
Theory of hydride-proton transfer (HPT) carbonyl reduction by [Os(III)(tpy)(Cl)(NH═CHCH(3))(NSAr)]Daniel H Ess, Cynthia K Schauer, Thomas J MeyerOrganic Letters|November 21, 2012
Quantum mechanical transition-state analysis reveals the precise origin of stereoselectivity in chiral quaternary cinchonidinium phase-transfer catalyzed enolate allylationThomas C Cook, Merritt B Andrus, Daniel H EssThe Journal of Physical Chemistry. A|February 6, 2008
Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethyleneSteven E Wheeler, Daniel H Ess, K N HoukThe Journal of Physical Chemistry. A|June 5, 2024
Trajectory-Based Time-Resolved Mechanism for Benzene Reductive Elimination from Cyclopentadienyl Mo/W Phenyl Hydride ComplexesJoshua I Wheeler, Anthony J Schaefer, Daniel H EssPageof 14