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Journal of Physics Condensed Matter

Volumn 14, Issue 4, 2002, Pages 783-802

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

(6) Brenner, Donald W a Shenderova, Olga A a Harrison, Judith A b Stuart, Steven J c Ni, Boris d Sinnott, Susan B d

a Campus Box 7908 (United States)

b UNITED STATES NAVAL ACADEMY (United States)

c CLEMSON UNIVERSITY (United States)

d University of Florida (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARBON; CHEMICAL BONDS; ELASTICITY; INTERFACIAL ENERGY; MATHEMATICAL MODELS; POTENTIAL ENERGY;

ATOMIC HYBRIDIZATION; COVALENT BOND; INTERSTITIAL DEFECT ENERGIES; REACTIVE EMPIRICAL BOND ORDER;

HYDROCARBONS;

EID: 0037017208 PISSN: 09538984 EISSN: None Source Type: Journal
DOI: 10.1088/0953-8984/14/4/312 Document Type: Article

Times cited : (3636)

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