March 23, 2009 article The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights Journal of Chemical Theory and Computation DOI: 10.1021/ct800568m OpenAlex Authors 0 Author list not loaded yet. Cited by 27 stored of 530 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 Ab Initio Study of the Gas‐ and Liquid‐Phase Hydrogen Abstraction From Dimethyl‐, Diethyl‐, and Ethyl–Methyl Carbonates by H${\dot{\mathrm{H}}} $ and C${\dot{\mathrm{C}}} $ H3 and Subsequent Reactions 2025 International Journal of Chemical Kinetics article Chemical Engineering Advanced Combustion Engine Technologies Open access 1 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 4 citations Computational Investigation of the High-Temperature Chemistry of Small Hydroxy Ethers: Methoxymethanol, Ethoxymethanol, and 2-Methoxyethanol 2024 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies 3 citations Comparative Study of n-C5 Bond Dissociation Energies and H-Atom Abstraction via H for Alkane, Alcohol, Methyl Ether, Nitroso, Nitro, Nitrite, and Nitrate 2024 The Journal of Physical Chemistry A article Engineering Energetic Materials and Combustion 1 citations Kinetic insights into double-branched acyclic ether: Methyl tert-butyl ether and 2,2-dimethoxypropane 2024 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access 4 citations Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains 2024 Industrial & Engineering Chemistry Research article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications 1 citations Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis 2024 International Journal of Chemical Kinetics article Chemical Engineering Advanced Combustion Engine Technologies Open access 16 citations Dissociative chemisorption of O 2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach 2024 Faraday Discussions article Physics and Astronomy Advanced Chemical Physics Studies Open access 8 citations Automatic Potential Energy Surface Exploration by Accelerated Reactive Molecular Dynamics Simulations: From Pyrolysis to Oxidation Chemistry 2023 The Journal of Physical Chemistry A article Chemistry Advanced Physical and Chemical Molecular Interactions 11 citations Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles 2023 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access 9 citations Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry 2023 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access 0 citations Influence of Oxygen Atoms and Ring Strain on the Low-Temperature Oxidation Pathways of 1,3-Dioxolane 2023 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies 6 citations Kinetic Modeling of a Poly(N-vinylcaprolactam-co-glycidyl methacrylate) Microgel Synthesis: A Hybrid In Silico and Experimental Approach 2023 Industrial & Engineering Chemistry Research article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications 13 citations Understanding the monomer deuteration effect on the transition temperature of poly( N -isopropylacrylamide) microgels in H 2 O 2023 Polymer Chemistry article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications Open access 5 citations From Molecules to Heat‐Integrated Processes: Computer‐Aided Design of Solvents and Processes Using Quantum Chemistry 2022 Chemie Ingenieur Technik article Engineering Process Optimization and Integration Open access 5 citations Effect of methyl substituents, ring size, and oxygen on bond dissociation energies and ring-opening kinetics of five- and six-membered cyclic acetals 2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies 27 citations Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration 2021 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies 2 citations CAT-COSMO-CAMPD: Integrated in silico design of catalysts and processes based on quantum chemistry 2021 Computers & Chemical Engineering article Environmental Science Chemistry and Chemical Engineering Open access 11 citations Reaction Mechanisms and Rate Constants of Auto‐Catalytic Urethane Formation and Cleavage Reactions 2021 ChemistryOpen article Chemistry Chemical Reaction Mechanisms Open access cited by 1 patent 25 citations Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration 2021 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access 1 citations 1–20 of 27 Page 1 / 2 Next → References 0