October 12, 2021 article Open access An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants Journal of Computational Chemistry DOI: 10.1002/jcc.26757 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 3 stored of 20 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 An Automated Intermolecular Reaction Discovery Approach Relying on Heuristic Atom-Partitioned Frontier Orbital Features 2025 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 4 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 A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes 2022 ChemPhysChem article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations 3 results References 0