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Accounts of Chemical Research
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November 11, 2021
Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions
Daniel H Ess
The Journal of Organic Chemistry
|
January 15, 2009
Distortion, interaction, and conceptual DFT perspectives of MO4-alkene (M = Os, Re, Tc, Mn) cycloadditions
Daniel H Ess
Inorganic Chemistry
|
May 18, 2012
Metal-mediated dihydrogen activation. What determines the transition-state geometry?
Deepa Devarajan, Daniel H Ess
Journal of the American Chemical Society
|
March 23, 2023
Direct Dynamics Trajectories Demonstrate Dynamic Matching and Nonstatistical Radical Pair Intermediates during Fe-Oxo-Mediated C-H Functionalization Reactions
Jyothish Joy, Daniel H Ess
Journal of the American Chemical Society
|
December 18, 2025
Radical Clock Substrates Measure Nonstatistical Dynamical Effects in Cytochrome P450-Mediated C-H Functionalization Reactions
Jyothish Joy, Daniel H Ess
Physical Chemistry Chemical Physics : PCCP
|
April 8, 2024
Vibrational synchronization and its reaction pathway influence from an entropic intermediate in a dirhodium catalyzed allylic C-H activation/Cope rearrangement reaction
Anthony J Schaefer, Daniel H Ess
Journal of the American Chemical Society
|
July 11, 2008
Theory of 1,3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models
Daniel H Ess, K N Houk
The Journal of Physical Chemistry. A
|
July 27, 2006
Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions
Daniel H Ess, K N Houk
The Journal of Organic Chemistry
|
August 5, 2011
Computational study on the mechanism and selectivity of C-H bond activation and dehydrogenative functionalization in the synthesis of rhazinilam
Corey S Ellis, Daniel H Ess
Dalton Transactions (Cambridge, England : 2003)
|
February 20, 2016
Allylic amination reactivity of Ni, Pd, and Pt heterobimetallic and monometallic complexes
Ryan W Carlsen, Daniel H Ess
Page
of 13
Search research articles
Search
Showing results (1-10 of 127) with videos related to
Sort By:
Page
of 13
Accounts of Chemical Research
|
November 11, 2021
Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions
Daniel H Ess
The Journal of Organic Chemistry
|
January 15, 2009
Distortion, interaction, and conceptual DFT perspectives of MO4-alkene (M = Os, Re, Tc, Mn) cycloadditions
Daniel H Ess
Inorganic Chemistry
|
May 18, 2012
Metal-mediated dihydrogen activation. What determines the transition-state geometry?
Deepa Devarajan, Daniel H Ess
Journal of the American Chemical Society
|
March 23, 2023
Direct Dynamics Trajectories Demonstrate Dynamic Matching and Nonstatistical Radical Pair Intermediates during Fe-Oxo-Mediated C-H Functionalization Reactions
Jyothish Joy, Daniel H Ess
Journal of the American Chemical Society
|
December 18, 2025
Radical Clock Substrates Measure Nonstatistical Dynamical Effects in Cytochrome P450-Mediated C-H Functionalization Reactions
Jyothish Joy, Daniel H Ess
Physical Chemistry Chemical Physics : PCCP
|
April 8, 2024
Vibrational synchronization and its reaction pathway influence from an entropic intermediate in a dirhodium catalyzed allylic C-H activation/Cope rearrangement reaction
Anthony J Schaefer, Daniel H Ess
Journal of the American Chemical Society
|
July 11, 2008
Theory of 1,3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models
Daniel H Ess, K N Houk
The Journal of Physical Chemistry. A
|
July 27, 2006
Activation energies of pericyclic reactions: performance of DFT, MP2, and CBS-QB3 methods for the prediction of activation barriers and reaction energetics of 1,3-dipolar cycloadditions, and revised activation enthalpies for a standard set of hydrocarbon pericyclic reactions
Daniel H Ess, K N Houk
The Journal of Organic Chemistry
|
August 5, 2011
Computational study on the mechanism and selectivity of C-H bond activation and dehydrogenative functionalization in the synthesis of rhazinilam
Corey S Ellis, Daniel H Ess
Dalton Transactions (Cambridge, England : 2003)
|
February 20, 2016
Allylic amination reactivity of Ni, Pd, and Pt heterobimetallic and monometallic complexes
Ryan W Carlsen, Daniel H Ess
Page
of 13