ReaxFF: A Reactive Force Field for Hydrocarbons
Article Properties
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LanguageEnglish
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DOI (url)
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Publication Date2001/09/22
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Indian UGC (journal)
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Refrences68
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Citations4,095
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Adri C. T. van Duin Department of Fossil Fuels and Environmental Geochemistry, Drummond Building, University of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom, Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, and Institut Français du Pètrole, Geology and Geochemistry Research Division, 1-4 Avenue de Bois-Preau, 92852 Rueil-Malmaison, France
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Siddharth Dasgupta Department of Fossil Fuels and Environmental Geochemistry, Drummond Building, University of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom, Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, and Institut Français du Pètrole, Geology and Geochemistry Research Division, 1-4 Avenue de Bois-Preau, 92852 Rueil-Malmaison, France
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Francois Lorant Department of Fossil Fuels and Environmental Geochemistry, Drummond Building, University of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom, Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, and Institut Français du Pètrole, Geology and Geochemistry Research Division, 1-4 Avenue de Bois-Preau, 92852 Rueil-Malmaison, France
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William A. Goddard Department of Fossil Fuels and Environmental Geochemistry, Drummond Building, University of Newcastle, Newcastle upon Tyne NE1 7RU, United Kingdom, Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, and Institut Français du Pètrole, Geology and Geochemistry Research Division, 1-4 Avenue de Bois-Preau, 92852 Rueil-Malmaison, France
Journal Categories
Science
Chemistry
Science
Chemistry
Physical and theoretical chemistry
Science
Physics
Atomic physics
Constitution and properties of matter
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Refrences
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
| Capability of LEPS Surfaces to Describe the Kinetics and Dynamics of Non-Collinear Reactions | The Journal of Physical Chemistry A |
| 12 | 2001 |
| Studies of fullerenes and carbon nanotubes by an extended bond order potential | Nanotechnology |
| 26 | 1999 |
| 10.1016/S1381-1169(98)00024-7 | 1998 | |||
| Valence Bond Concepts Applied to the Molecular Mechanics Description of Molecular Shapes. 3. Applications to Transition Metal Alkyls and Hydrides | Journal of the American Chemical Society |
| 112 | 1998 |
| Conservation of Bond Order during Radical Substitution Reactions: Implications for the BEBO Model | The Journal of Physical Chemistry A |
| 14 | 1998 |
Refrences Analysis
The category
Science: Chemistry 42
is the most frequently represented among the references in this article. It primarily includes studies from Journal of the American Chemical Society and Journal of Molecular Structure. The chart below illustrates the number of referenced publications per year.
Refrences used by this article by year
Citations
| Title | Journal | Journal Categories | Citations | Publication Date |
|---|---|---|---|---|
Multi‐Interface Strategy for Electrode Tailoring Toward Fast‐Charging Lithium‐Ion Batteries | Advanced Functional Materials |
| 2024 | |
Accurate Simulation for 2D Lubricating Materials in Realistic Environments: From Classical to Quantum Mechanical Methods | Advanced Materials |
| 2024 | |
Mechanical Properties of Single and Polycrystalline Solids from Machine Learning | Advanced Theory and Simulations |
| 2024 | |
Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations | Advanced Energy Materials |
| 2024 | |
A ReaxFF Potential for Modeling Organic Matter Degradation with Oxybromine Oxidants | ChemPhysChem |
| 2024 |
Citations Analysis
The category
Science: Chemistry 2,870
is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled Crenarchaeol and was published in 2002. The most recent citation comes from a 2024 study titled Molecular Dynamics Study on the Capture of Aluminum Particles by Carbon Fibers during the Propagation of Aluminum-Based Energetics. This article reached its peak citation in 2023, with 501 citations. It has been cited in 655 different journals, 14% of which are open access. Among related journals, the The Journal of Physical Chemistry C cited this research the most, with 297 citations. The chart below illustrates the annual citation trends for this article.