Daniel H. Ess - Publications, H-index & Citations

Daniel H. Ess

brigham young university

50H指数

367论文数

1.2W被引数

收录论文 134

发表时间

Non-radical pathways control methane sulfonation versus oxygenation C–H functionalization selectivity with Hg(II) and Au(III) catalysis 非自由基途径控制甲烷磺化与氧化C–H官能化选择性（Hg(II)和Au(III)催化）

chem. sci.

IF0

2026-04-23

OAAI

Anjaneyulu Koppaka †; Caz Cullimore †; Jyothish Joy; Alex Kraus; Roy A. Periana; Daniel H. Ess

Density Functional Theory Surrogate Enables Fast and Broad Computational Evaluation of Homogeneous Transition Metal Catalytic Energy Landscapes 密度泛函理论代理模型实现了对均相过渡金属催化能量景观的快速且广泛计算评估

ACS Catalysis

IF13.1

2026-04-21

PREAI

Kevin P. Quirion; Wang-Yeuk Kong; Britton Stanley; Jyothish Joy; Daniel H. Ess

Reactivity, selectivity, and mechanism of Bi(V) promoted methane C-H functionalization in concentrated sulfuric acid Bi(V)促进的甲烷C-H键功能化在浓硫酸中的反应活性、选择性和机理

Journal of Organometallic Chemistry

IF2.4

2026-04-15

PREAI

Kraus, Alex; Koppaka, Anjaneyulu; Periana, Roy A.; Ess, Daniel H.

Synthesis and Characterization of a Copper Complex Supported by a Z-type SbV Ligand: XPS and DFT Study of Electronic Structure

Organometallics

IF2.9

2026-02-05

OAAI

Christopher K. Webber; Macarena G. Alférez; Farzad Bastani; Jugal Kumawat; Fanji Kong; Zoë M. Gehman; Xinrui Ou; Diane A. Dickie; Daniel H. Ess; Petra Reinke; T. Brent Gunnoe

Polar-to-Radical Crossover in Catalyst-Free Olefin Halo-Hydroxylamination: A Direct Route to Multifunctional Electrophilic Hydroxylamines 在无催化剂烯烃卤代羟基化胺化反应中的极性-自由基交叉：一种制备多功能亲电羟基胺的直接路线

JACS Au

IF8.7

2026-01-06

OAAI

Young-Do Kwon; Daniel Joaquin; Michael T. Davenport; Jeff Olsen; Melany Carpio; Muhammed Yousufuddin; Daniel H. Ess; László Kürti

Mechanism; selectivity; and what prevents closure of the catalytic cycle for H2 reduction of CO2 promoted by a heterodinuclear zirconium–iridium complex 机制；选择性；以及什么阻止了由异双核锆-铱配合物促进的CO2的H2还原催化循环的闭合

Phys. Chem. Chem. Phys.

IF0

2025-12-18

PREAI

Kevin P. Quirion; Daniel H. Ess

Radical Clock Substrates Measure Nonstatistical Dynamical Effects in Cytochrome P450-Mediated C-H Functionalization Reactions

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2025-12-01

PREAI

Joy, Jyothish; Ess, Daniel H.

Dynamics-based transition states reveal solvent cage effect and SN2 transition state motion in Lewis acid catalyzed stereoselective tertiary alcohol nucleophilic substitution reactions 基于动力学的过渡态揭示了路易斯酸催化的立体选择性三级醇亲核取代反应中的溶剂笼效应和SN2过渡态运动。

Chem. Sci.

IF7.4

2025-10-16

OAAI

Anthony J. Schaefer; Trevor Mallavia; Daniel H. Ess

Resolution of physics and deep learning-based protein engineering filters: A case study with a lipase for industrial substrate hydrolysis 基于物理和深度学习的蛋白质工程滤器的解析：一项关于用于工业底物水解的脂肪酶的案例研究

PLOS ONE

IF2.6

2025-09-12

OAAI

Gardiner, Spencer; Dollinger, Peter; Kovacic, Filip; Pietruszka, Jorg; Ess, Daniel H.; Jaeger, Karl-Erich; Schroeder, Gunnar F.; Della Corte, Dennis

Synthesis of Quinoline-Based Rh–Sb Complexes: Inhibition of Halide Transfer to Access a Rh→Sb Z-Type Interaction 喹啉基铑–锑配合物的合成：抑制卤化物转移以实现Rh→Sb Z型相互作用

Organometallics

IF2.9

2025-08-01

OAAI

Xinrui Ou; Fanji Kong; Kevin P. Quirion; Christopher K. Webber; Diane A. Dickie; Daniel H. Ess; T. Brent Gunnoe

Dynamic Effects Influencing Mechanisms and Selectivity in Metal-Mediated Organometallic Reactions 动态效应影响机制与选择性的金属介导有机金属反应

Organometallics

IF2.9

2025-07-30

PREAI

Anthony J. Schaefer; Jyothish Joy; Michael T. Davenport; Daniel H. Ess

Pd–Methyl Bond Energy─Property Correlations; Noncorrelations; Machine Learning Models; and Application to Polymerization Catalysis Pd–甲基键能─性质相关性；非相关性；机器学习模型；及其在聚合催化中的应用

Organometallics

IF2.9

2025-07-05

PREAI

Jyothish Joy; Alex Kraus; Spencer Ricks; Daniel H. Ess

TrIP2: Expanding the Transformer Interatomic Potential Demonstrates Architectural Scalability for Organic Compounds TrIP2：扩展的Transformer原子间势能展示了有机化合物的架构可扩展性

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-05-16

PREAI

Ebbert, Joshua; Hedelius, Bryce; Joy, Jyothish; Ess, Daniel H.

Origin of Intramolecular versus Intermolecular C-H Arene Activation Selectivity by Cyclopentadienyl-Triphenylphosphine Iridium 环戊二烯基-三苯基膦铱催化下分子内与分子间C-H芳环活化选择性的起源

INORGANIC CHEMISTRY

IF4.7

2025-04-14

PREAI

Zhang, Bowen; Ess, Daniel H.; Hall, Michael B.

Method and Mechanistic Insights to 1,2-Aminochlorinate Alkenes using Blue-Light Activated Dichlorocarbamates 1,2-氨基氯化烯烃的方法及机制研究：基于蓝光激活的氯甲酸氯方法

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2025-03-29

OAAI

Irvankoski, Sini; Davenport, Michael T.; Ess, Daniel H.; Siitonen, Juha H.

Controlling Catalyst Speciation to Achieve Room Temperature Pd-Catalyzed Aminations with Aryl and Heteroaryl Chlorides

ADVANCED SYNTHESIS & CATALYSIS

IF4

2025-01-31

PREAI

Moreno, Mariur Rodriguez; Setelin, Mary L.; Hansen, Joshua D.; Corey, James L.; Noble, Kirt L.; Stillwell, Lillian R.; Angell, Emily; Stubbs, Olivia A.; Kumawat, Jugal; Gomez, Carlos S. Munoz; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.

On-Demand Metal-to-Metal Electron Donation during Zr-Ru Heterodinuclear-Catalyzed Amine-Borane Dehydrogenation

ACS CATALYSIS

IF13.1

2024-11-01

PREAI

Kumawat, Jugal; Ess, Daniel H.

Nickel-Catalyzed Electrochemical Cross-Electrophile C(sp2)-C(sp3) Coupling via a NiII Aryl Amido Intermediate 镍催化的通过NiII芳基酰胺中间体的电化学交叉亲电试剂C(sp2)-C(sp3) 偶联

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-08-13

PREAI

Luo, Jian; Davenport, Michael T.; Ess, Daniel H.; Liu, T. Leo

Electro/Ni Dual-Catalyzed Decarboxylative C(sp3)-C(sp2) Cross-Coupling Reactions of Carboxylates and Aryl Bromide

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-04-18

PREAI

Luo, Jian; Davenport, Michael T.; Ess, Daniel H.; Liu, T. Leo

Intramolecular Heteroatom and Styryl Diels-Alder Reactions, Asymmetric Cycloadditions of Chiral 3-Phenylallyl Maleic Esters

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2024-03-05

PREAI

Mpaata, Peter; Miller, Chandler R.; Bonsrah, Dickson K.; Camp, Alexander B.; Ballard, Karson M.; Angelie, Liahona; Kirkland, Justin; Joy, Jyothish; Hirschi, William J.; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.

研究方向