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Daniel H Ess

Showing results (11-20 of 127) with videos related to

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The Journal of Physical Chemistry. A|May 15, 2012
Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curvesDaniel H Ess, Thomas C Cook
Physical Chemistry Chemical Physics : PCCP|December 17, 2025
Mechanism, selectivity, and what prevents closure of the catalytic cycle for H<sub>2</sub> reduction of CO<sub>2</sub> promoted by a heterodinuclear zirconium-iridium complexKevin P Quirion, Daniel H Ess
Journal of the American Chemical Society|May 26, 2021
Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π-Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C-H ActivationBo Yang, Anna Schouten, Daniel H Ess
Inorganic Chemistry|July 11, 2013
Theory of divalent main group H2 activation: electronics and quasiclassical trajectoriesDeepa Devarajan, Charles E Doubleday, Daniel H Ess
Journal of the American Chemical Society|May 26, 2010
Enantioselective synthesis of (E)-delta-stannyl homoallylic alcohols via aldehyde allylboration using alpha-stannylallylboranes generated by allene hydroboration followed by a highly diastereoselective 1,3-boratropic shiftMing Chen, Daniel H Ess, William R Roush
The Journal of Physical Chemistry. A|November 20, 2010
Density functional steric analysis of linear and branched alkanesDaniel H Ess, Shubin Liu, Frank De Proft
The 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 Schauer
Inorganic 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 Ess
Organic 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 Roush
Faraday Discussions|September 17, 2019
Direct dynamics analysis of the cationic Cp*(PMe<sub>3</sub>)Ir(CH<sub>3</sub>) methane C-H activation mechanismRyan Carlsen, Jordan R Jenkins, Daniel H Ess
Pageof 13

Showing results (11-20 of 127) with videos related to

Sort By:
Pageof 13
The Journal of Physical Chemistry. A|May 15, 2012
Unrestricted prescriptions for open-shell singlet diradicals: using economical ab initio and density functional theory to calculate singlet-triplet gaps and bond dissociation curvesDaniel H Ess, Thomas C Cook
Physical Chemistry Chemical Physics : PCCP|December 17, 2025
Mechanism, selectivity, and what prevents closure of the catalytic cycle for H<sub>2</sub> reduction of CO<sub>2</sub> promoted by a heterodinuclear zirconium-iridium complexKevin P Quirion, Daniel H Ess
Journal of the American Chemical Society|May 26, 2021
Direct Dynamics Trajectories Reveal Nonstatistical Coordination Intermediates and Demonstrate that σ and π-Coordination Are Not Required for Rhenium(I)-Mediated Ethylene C-H ActivationBo Yang, Anna Schouten, Daniel H Ess
Inorganic Chemistry|July 11, 2013
Theory of divalent main group H2 activation: electronics and quasiclassical trajectoriesDeepa Devarajan, Charles E Doubleday, Daniel H Ess
Journal of the American Chemical Society|May 26, 2010
Enantioselective synthesis of (E)-delta-stannyl homoallylic alcohols via aldehyde allylboration using alpha-stannylallylboranes generated by allene hydroboration followed by a highly diastereoselective 1,3-boratropic shiftMing Chen, Daniel H Ess, William R Roush
The Journal of Physical Chemistry. A|November 20, 2010
Density functional steric analysis of linear and branched alkanesDaniel H Ess, Shubin Liu, Frank De Proft
The 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 Schauer
Inorganic 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 Ess
Organic 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 Roush
Faraday Discussions|September 17, 2019
Direct dynamics analysis of the cationic Cp*(PMe<sub>3</sub>)Ir(CH<sub>3</sub>) methane C-H activation mechanismRyan Carlsen, Jordan R Jenkins, Daniel H Ess
Pageof 13