Daniel Ess
Title
Cited by
Cited by
Year
Proton-coupled electron transfer
DR Weinberg, CJ Gagliardi, JF Hull, CF Murphy, CA Kent, BC Westlake, ...
Chemical Reviews 112 (7), 4016-4093, 2012
8912012
Distortion/interaction energy control of 1, 3-dipolar cycloaddition reactivity
DH Ess, KN Houk
Journal of the American Chemical Society 129 (35), 10646-10647, 2007
6002007
Theory of 1, 3-dipolar cycloadditions: distortion/interaction and frontier molecular orbital models
DH Ess, KN Houk
Journal of the American Chemical Society 130 (31), 10187-10198, 2008
5962008
Conceptual, Qualitative, and Quantitative Theories of 1, 3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis
DH Ess, GO Jones, KN Houk
Advanced Synthesis & Catalysis 348 (16‐17), 2337-2361, 2006
2712006
Bifurcations on potential energy surfaces of organic reactions
DH Ess, SE Wheeler, RG Iafe, L Xu, N Celebi‐Oelcuem, KN Houk
Angewandte Chemie International Edition 47 (40), 7592-7601, 2008
2372008
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 …
DH Ess, KN Houk
The journal of physical chemistry A 109 (42), 9542-9553, 2005
2252005
Transition states of strain-promoted metal-free click chemistry: 1, 3-dipolar cycloadditions of phenyl azide and cyclooctynes
DH Ess, GO Jones, KN Houk
Organic letters 10 (8), 1633-1636, 2008
1992008
Reactivity and regioselectivity in 1, 3-dipolar cycloadditions of azides to strained alkynes and alkenes: a computational study
F Schoenebeck, DH Ess, GO Jones, KN Houk
Journal of the American Chemical Society 131 (23), 8121-8133, 2009
1972009
Precursor transformation during molecular oxidation catalysis with organometallic iridium complexes
U Hintermair, SW Sheehan, AR Parent, DH Ess, DT Richens, PH Vaccaro, ...
Journal of the American Chemical Society 135 (29), 10837-10851, 2013
1822013
Organocatalytic aryl–aryl bond formation: an atroposelective [3, 3]-rearrangement approach to BINAM derivatives
GQ Li, H Gao, C Keene, M Devonas, DH Ess, L Kürti
Journal of the American Chemical Society 135 (20), 7414-7417, 2013
1652013
Direct stereospecific synthesis of unprotected NH and N-Me aziridines from olefins
JL Jat, MP Paudyal, H Gao, QL Xu, M Yousufuddin, D Devarajan, DH Ess, ...
Science 343 (6166), 61-65, 2014
1602014
Rapid Synthesis of Fused N‐Heterocycles by Transition‐Metal‐Free Electrophilic Amination of Arene C H Bonds
H Gao, QL Xu, M Yousufuddin, DH Ess, L Kürti
Angewandte Chemie International Edition 53 (10), 2701-2705, 2014
1472014
Elusive metal-free primary amination of arylboronic acids: synthetic studies and mechanism by density functional theory
C Zhu, G Li, DH Ess, JR Falck, L Kürti
Journal of the American Chemical Society 134 (44), 18253-18256, 2012
1142012
Dirhodium-catalyzed CH arene amination using hydroxylamines
MP Paudyal, AM Adebesin, SR Burt, DH Ess, Z Ma, L Kürti, JR Falck
Science 353 (6304), 1144-1147, 2016
1102016
Main-group compounds selectively oxidize mixtures of methane, ethane, and propane to alcohol esters
BG Hashiguchi, MM Konnick, SM Bischof, SJ Gustafson, D Devarajan, ...
Science 343 (6176), 1232-1237, 2014
1092014
Singlet− Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory
DH Ess, ER Johnson, X Hu, W Yang
The Journal of Physical Chemistry A 115 (1), 76-83, 2011
932011
Electrophilic, Ambiphilic, and Nucleophilic C− H Bond Activation: Understanding the Electronic Continuum of C− H Bond Activation Through Transition-State and Reaction Pathway …
DH Ess, WA Goddard III, RA Periana
Organometallics 29 (23), 6459-6472, 2010
852010
Intermolecular N–H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ3-Phosphorus Compound via an Entropy-Controlled Electrophilic …
SM McCarthy, YC Lin, D Devarajan, JW Chang, HP Yennawar, RM Rioux, ...
Journal of the American Chemical Society 136 (12), 4640-4650, 2014
782014
Practical Organocatalytic Synthesis of Functionalized Non‐C2‐Symmetrical Atropisomeric Biaryls
H Gao, QL Xu, C Keene, M Yousufuddin, DH Ess, L Kürti
Angewandte Chemie International Edition 55 (2), 566-571, 2016
762016
Transition-metal-free direct arylation: synthesis of halogenated 2-amino-2′-hydroxy-1, 1′-biaryls and mechanism by DFT calculations
H Gao, DH Ess, M Yousufuddin, L Kürti
Journal of the American Chemical Society 135 (19), 7086-7089, 2013
732013
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