PETN / Preston / Pasadena / Ghosh / London / New York / Paris / /
Company
Cumming A. S. / Marui / ASSOCIATED CONTENT / /
Country
China / Spain / / /
Facility
California Institute of Technology / Shanghai Jiao Tong University / /
IndustryTerm
metal / chemical reactions / large condensed phase systems / important applications / dispersion energy correction parameter / above systems / chemical reaction energies / energy / /
Organization
American Chemical Society / California Institute of Technology / National Science Foundation / China Materials and Process Simulation Center / School of Chemistry / China Scholarship Council / School of Chemistry and Chemical Engineering / Process Simulation Center / Shanghai Jiao Tong University / Shanghai / /
Person
Ralph Anthenien / Francis / Sergey V. Zybin / ‡ Huai / J. Raman Spectrosc / William A. Goddard / III / Betsy Rice / /
Position
D. J. / S. D. J. / AUTHOR INFORMATION Corresponding Author *E-mail / Marshall / /
ProvinceOrState
New Mexico / TATB / RDX / PETN / S. K. / California / /
ARTICLE pubs.acs.org/JPCA ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials