Improved reaxFF force field parameters for Au-S-C-H systems

Journal of Physical Chemistry A

Volumn 117, Issue 40, 2013, Pages 10438-10446

  Bae, Gyun Tack ^a   Aikens, Christine M ^b  

^a Chungbuk National University   (South Korea)

^b KANSAS STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AU-AU BOND; BENDING PARAMETERS; ENERGY SURFACE; FORCE FIELD PARAMETERS; RELATIVE ENERGIES; REPARAMETERIZATION; SMALL CLUSTERS; YIELD IMPROVEMENT;

GOLD COMPOUNDS; NANOPARTICLES; QUANTUM CHEMISTRY;

GOLD;

EID: 84885575505     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp405992m     Document Type: Article

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