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Papers matching “reaction energetics” 54

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Correlations between the Electronic Structure and Energetics of the Catalytic Steps in Homogeneous Water Oxidation Catalysis
2023 Journal of the American Chemical Society article Energy Electrocatalysts for Energy Conversion Open access

Daan den Boer, Dennis G. H. Hetterscheid

8

citations
Operando Structure–Activity–Stability Relationship of Iridium Oxides during the Oxygen Evolution Reaction
2022 ACS Catalysis article Energy Electrocatalysts for Energy Conversion Open access

Rik Valentijn Mom, Lorenz J. Falling, Olga I. Kasian, Gerardo Algara‐Siller, Detre Teschner, Robert H. Crabtree, +4 more

146

citations
Electrochemical modeling of silicon in lithium-ion batteries using a multi-species, multi-reaction framework with atomistic insights
2026 EES batteries. article Engineering Advancements in Battery Materials Open access

Nikolaos Papadopoulos, Oliver Queisser, Stefanie Arnold, Shubham Dhananjay Bhende, Jonathan Edward Mueller, Simon Schwunk, +1 more

0

citations
Transition-state rate theory sheds light on ‘black-box’ biodegradation algorithms
2020 Green Chemistry article Chemistry Chemical Reaction Mechanisms Open access

Tom M. Nolte, Willie J.G.M. Peijnenburg, Tamara J. H. M. van Bergen, A. Jan Hendriks

7

citations
Enhancing the connection between computation and experiments in electrocatalysis
2022 Nature Catalysis article Energy Electrocatalysts for Energy Conversion Open access

Joaquin Resasco, Frank Abild‐Pedersen, Christopher Hahn, Zhenan Bao, Marc T. M. Koper, Thomas Francisco Jaramillo

122

citations
Anisotropic Step Etching and Etch Instabilities during Cathodic Corrosion on Platinum
2025 The Journal of Physical Chemistry C article Energy Electrocatalysts for Energy Conversion Open access

Jamie A. Trindell, Mark Aarts, Marc T. M. Koper

5

citations
Dataset for publication: "Reactions of Chemically Activated Oxosilanol Formed via SiO2 + H2"
2026 RWTH Publications (RWTH Aachen) dataset Physics and Astronomy Advanced Chemical Physics Studies Open access

Malte Döntgen

0

citations
Origin of Stereoselectivity in SE2′ Reactions of Six‐membered Ring Oxocarbenium Ions
2022 Chemistry - A European Journal article Chemistry Chemical Reaction Mechanisms Open access

Wouter A. Remmerswaal, Trevor A. Hamlin, Jeroen D. C. Codée

9

citations
Proposed Importance of HOCO Chemistry: Inefficient Formation of CO 2 from CO and OH Reactions on Ice Dust
2024 The Astrophysical Journal article Physics and Astronomy Astrophysics and Star Formation Studies Open access

Atsuki Ishibashi, Germán Molpeceres, H. Hidaka, Yasuhiro Oba, Thanja Lamberts

17

citations
The Monomer–Dimer Equilibrium of Triscatechol Titanium(IV)-Based Hierarchical Helicates as a Tool for the Development of Molecular Balances and Molecular Switches
2023 Accounts of Chemical Research article Chemistry Supramolecular Chemistry and Complexes

Markus Albrecht

6

citations
Thermodynamic and Economic Potential of Glycerol Oxidation to Replace Oxygen Evolution in Water Electrolysis
2024 Industrial & Engineering Chemistry Research article Energy Electrocatalysts for Energy Conversion Open access

Katharina M. Ebeling, Dominik Bongartz, Sonja D. Mürtz, Regina Palkovits, Alexander Mitsos

27

citations
Challenges in Elucidating the Free Energy Scheme of the Laccase Catalyzed Reduction of Oxygen
2022 ChemCatChem article Energy Electrocatalysts for Energy Conversion Open access

Daan den Boer, Hendrik C. de Heer, Francesco Buda, Dennis G. H. Hetterscheid

18

citations
Formation of complex organic molecules in molecular clouds: acetaldehyde, vinyl alcohol, ketene, and ethanol via the “energetic” processing of C2H2 ice
2021 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

K.-J. Chuang, G. Fedoseev, Carlotta Sciré, G. A. Baratta, Cornelia Jäger, Thomas K. Henning, +2 more

39

citations
Carbene transfer from thianthrenium ylides for cyclopropanation
2026 Nature article Chemistry Cyclopropane Reaction Mechanisms Open access

Deepak Behera, Sagnik Chatterjee, Áron Adorján, Chuanhao Wang, Ahmet Altun, Frank Neese, +1 more

0

citations
Limits of BOSS DFT: O2 + Al(111) Dynamics on a Screened Hybrid Van der Waals DFT Potential Energy Surface
2025 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access

Robert A. B. van Bree, Geert–Jan Kroes

2

citations
Ab Initio Investigation of Primary Fuel Reactions of Monoaromatic Hydrocarbons under Pyrolytic Conditions: Anisole, Phenetole, and the 2-, 3-, 4-Methylanisole Isomers
2025 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies

Karl Alexander Heufer, Malte Döntgen

4

citations
Chemo-Mechanical Phase-Field Modeling of Iron Oxide Reduction with Hydrogen
2021 arXiv (Cornell University) preprint Engineering Iron and Steelmaking Processes Open access

Yang Bai, Jaber Rezaei Mianroodi, Yan Ma, Alisson Kwiatkowski da Silva, Bob Svendsen, Dierk Raabe

0

citations
Formation of COMs through CO hydrogenation on interstellar grains
2020 Springer Link (Chiba Institute of Technology) article Physics and Astronomy Astrophysics and Star Formation Studies Open access

Thanja Lamberts, H. M. Cuppen

49

citations
Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?
2024 Physical Chemistry Chemical Physics article Chemistry Chemical Reactions and Mechanisms Open access

Enrique M. Arpa, S. Stafström, Bo Durbeej

17

citations
The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments 2
2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Bauke Smits, Mark F. Somers

11

citations
Quantum mechanical investigation on the formation of silicate building blocks on interstellar ice mantles
2025 Monthly Notices of the Royal Astronomical Society article Physics and Astronomy Astrophysics and Star Formation Studies Open access

Andreha Gelli, Jessica Perrero, Stefano Ferrero, Joan Enrique-Romero, Cecilia Ceccarelli, Piero Ugliengo, +2 more

1

citations
Toward a Fundamental Understanding of Strain Generation and Strain Tuning for the Fuel Cell Applications
2022 ECS Meeting Abstracts conference-abstract Energy Electrocatalysts for Energy Conversion

Zhenhua Zeng, Guangdong Liu, Arthur J. Shih, Huiqiu Deng, Andrew J. Steinbach, Marc T. M. Koper, +1 more

0

citations
The prebiotic molecular inventory of Serpens SMM1
2021 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

N. F. W. Ligterink, Aida Ahmadi, A. Coutens, Łukasz Tychoniec, H. Calcutt, Ewine F. van Dishoeck, +4 more

34

citations
A kinetic descriptor for the electrolyte effect on the oxygen reduction kinetics on Pt(111)
2022 Nature Catalysis article Energy Electrocatalysts for Energy Conversion Open access

Mingchuan Luo, Marc T. M. Koper

233

citations
Quantum Monte Carlo calculations on dissociative chemisorption of H2 + Al(110): Minimum barrier heights and their comparison to DFT values
2020 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

Geert–Jan Kroes, Katharina Doblhoff-Dier

26

citations