August 09, 2026 article Open access Getting Around the Intrinsic Errors of Density Functional Theory Calculations in Electrocatalysis ACS Catalysis DOI: 10.1021/acscatal.5c08550 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 1 References 7 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in Electrocatalysis 2020 ACS Catalysis article Physics and Astronomy Advanced Chemical Physics Studies Open access 135 citations Computational approaches to dissociative chemisorption on metals: towards chemical accuracy 2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 96 citations SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces 2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 39 citations The Intricacies of Computational Electrochemistry 2025 ACS Energy Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access 29 citations Reaction barriers at metal surfaces computed using the random phase approximation: Can we beat DFT in the generalized gradient approximation? 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 16 citations Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces 2024 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access 15 citations Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals 2024 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access 14 citations 7 results