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Chemistry

D-Index
51
Citations
13178
World Ranking
13790
National Ranking
3578

Overview

Daniel H. Ess is affiliated with Brigham Young University in the United States. Their research spans multiple areas within chemistry and materials science, with a strong emphasis on organic chemistry and materials chemistry.

The scientist has contributed extensively to the understanding of crystallography and catalysis, focusing on topics such as X-ray diffraction in crystallography, crystallization and solubility studies, and catalytic C-H functionalization methods. Their work also covers areas like asymmetric hydrogenation and catalysis, organometallic complex synthesis and catalysis, machine learning in materials science, and catalytic cross-coupling reactions.

Among the recent papers authored or co-authored by Daniel H. Ess are the following:

  • Organocatalytic nitrogen transfer to unactivated olefins via transient oxaziridines, 2020, Nature Catalysis
  • Quantum-mechanical transition-state model combined with machine learning provides catalyst design features for selective Cr olefin oligomerization, 2020, Chemical Science
  • Exploring Cuneanes as Potential Benzene Isosteres and Energetic Materials: Scope and Mechanistic Investigations into Regioselective Rearrangements from Cubanes, 2023, Journal of the American Chemical Society
  • Why Less Coordination Provides Higher Reactivity Chromium Phosphinoamidine Ethylene Trimerization Catalysts, 2020, ACS Catalysis
  • H/D exchange under mild conditions in arenes and unactivated alkanes with C 6 D 6 and D 2 O using rigid, electron-rich iridium PCP pincer complexes, 2020, Chemical Science

Daniel H. Ess frequently collaborates with several researchers, including:

  • Justin K. Kirkland
  • Benjamin S. Gelfand
  • Warren E. Piers
  • Diane A. Dickie
  • Marissa L. Clapson

Their publications predominantly appear in specific scientific venues such as:

  • The Cambridge Structural Database
  • Organometallics
  • Journal of the American Chemical Society
  • Chemical Science
  • ACS Catalysis

Daniel H. Ess's body of work encompasses a total of 152 publications in chemistry and 102 in materials science, with a strong focus on organic chemistry (107 publications) and materials chemistry (95 publications). Additional subfields include inorganic chemistry, catalysis, and molecular biology.

Best Publications

  • Proton-Coupled Electron Transfer

    David R. Weinberg;Christopher J. Gagliardi;Jonathan F. Hull;Christine Fecenko Murphy

  • Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity

    Daniel H. Ess;K. N. Houk

  • Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

    Daniel H. Ess;K. N. Houk

  • Bifurcations on Potential Energy Surfaces of Organic Reactions

    Daniel H. Ess;Steven E. Wheeler;Robert G. Iafe;Lai Xu

  • Direct Stereospecific Synthesis of Unprotected N-H and N-Me Aziridines from Olefins

    Jawahar L. Jat;Mahesh P. Paudyal;Hongyin Gao;Qing Long Xu

  • 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

  • Conceptual, Qualitative, and Quantitative Theories of 1,3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis

    Daniel H. Ess;Gavin O. Jones;K. N. Houk

  • Dirhodium-catalyzed C-H arene amination using hydroxylamines.

    Mahesh P. Paudyal;Adeniyi Michael Adebesin;Scott R. Burt;Daniel H. Ess

  • Rapid synthesis of fused N-heterocycles by transition-metal-free electrophilic amination of arene C-H bonds.

    Hongyin Gao;Qing Long Xu;Muhammed Yousufuddin;Daniel H. Ess

  • Transition states of strain-promoted metal-free click chemistry: 1,3-dipolar cycloadditions of phenyl azide and cyclooctynes.

    Daniel H Ess;Gavin O Jones;K N Houk

  • Organocatalytic aryl-aryl bond formation: An atroposelective [3,3]-rearrangement approach to BINAM derivatives

    Gong Qiang Li;Hongyin Gao;Craig Keene;Michael Devonas

  • Reactivity and regioselectivity in 1,3-dipolar cycloadditions of azides to strained alkynes and alkenes: a computational study.

    Franziska Schoenebeck;Daniel H. Ess;Gavin O. Jones;K. N. Houk

  • Precursor Transformation during Molecular Oxidation Catalysis with Organometallic Iridium Complexes

    Ulrich Hintermair;Stafford W. Sheehan;Alexander R. Parent;Daniel H. Ess

  • Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling.

    Seihwan Ahn;Mannkyu Hong;Mahesh Sundararajan;Daniel H. Ess

  • Intermolecular N–H Oxidative Addition of Ammonia, Alkylamines, and Arylamines to a Planar σ3-Phosphorus Compound via an Entropy-Controlled Electrophilic Mechanism

    Sean M. McCarthy;Yi Chun Lin;Deepa Devarajan;Ji Woong Chang

  • Main-group compounds selectively oxidize mixtures of methane, ethane, and propane to alcohol esters

    Brian G. Hashiguchi;Michael M. Konnick;Steven M. Bischof;Samantha J. Gustafson

  • Elusive Metal-Free Primary Amination of Arylboronic Acids: Synthetic Studies and Mechanism by Density Functional Theory

    Chen Zhu;Gongqiang Li;Daniel H. Ess;John R. Falck

  • Electrophilic, Ambiphilic, and Nucleophilic C−H Bond Activation: Understanding the Electronic Continuum of C−H Bond Activation Through Transition-State and Reaction Pathway Interaction Energy Decompositions

    Daniel H. Ess;William A. Goddard;Roy A. Periana

  • Singlet-triplet energy gaps for diradicals from fractional-spin density-functional theory.

    Daniel H. Ess;Erin R. Johnson;Xiangqian Hu;Weitao Yang

  • Transition-State Metal Aryl Bond Stability Determines Regioselectivity in Palladium Acetate Mediated C–H Bond Activation of Heteroarenes

    Alban Petit;Josh Flygare;Alex T. Miller;Gerrit Winkel

  • Rapid Synthesis of Fused N‐Heterocycles by Transition‐Metal‐Free Electrophilic Amination of Arene C—H Bonds.

    Hongyin Gao;Qing‐Long Xu;Muhammed Yousufuddin;Daniel H. Ess

Frequent Co-Authors

Roy A. Periana
Roy A. Periana Scripps Research Institute
Kendall N. Houk
Kendall N. Houk University of California, Los Angeles
William A. Goddard
William A. Goddard California Institute of Technology
William R. Roush
William R. Roush Scripps Research Institute
T. Brent Gunnoe
T. Brent Gunnoe University of Virginia
John R. Falck
John R. Falck The University of Texas Southwestern Medical Center
Michael J. Ferguson
Michael J. Ferguson University of Alberta
F. Matthias Bickelhaupt
F. Matthias Bickelhaupt Vrije Universiteit Amsterdam
Steven E. Wheeler
Steven E. Wheeler University of Georgia
Guigen Li
Guigen Li Texas Tech University

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