Validity of current force fields for simulations on boron nitride nanotubes

Micro and Nano Letters

Volumn 5, Issue 2, 2010, Pages 150-156

  Hilder, T A ^a   Yang, R ^a   Ganesh, V ^a   Gordon, D ^a   Bliznyuk, A ^a   Rendell, A P ^a   Chung, S H ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BORON NITRIDE NANOTUBES; CAR-PARRINELLO MOLECULAR DYNAMICS; CURRENT FORCES; FORCE FIELDS; GAUSSIANS; INTERACTION ENERGIES; LENNARD-JONES PARAMETERS; MD SIMULATION; NITROGEN ATOM; PARTIAL CHARGES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL PACKAGE; VAN DER WAALS; WATER MOLECULE;

BORON; DYNAMICS; HYDRATES; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOTUBES; NITRIDES; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

BORON NITRIDE;

BORON NITRIDE NANOTUBE;

ARTICLE; ENERGY; FORCE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; QUANTUM CHEMISTRY; SIMULATION;

EID: 77956253183     PISSN: None     EISSN: 17500443     Source Type: Journal    
DOI: 10.1049/mnl.2009.0112     Document Type: Article

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