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A reactive empirical bond order (REBO) potential for hydrocarbon–oxygen interactions

✍ Scribed by Ni, Boris; Lee, Ki-Ho; Sinnott, Susan B

Book ID
111915484
Publisher
Institute of Physics
Year
2004
Tongue
English
Weight
366 KB
Volume
16
Category
Article
ISSN
0953-8984

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## Abstract Bond‐order potentials provide a powerful class of models for simulating chemically reactive systems with classical potentials. In these models, the covalent bonding interactions adapt to the environment, allowing bond strength to change in response to local chemical changes. However, th