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searching for ReaxFF 6 found (19 total)

alternate case: reaxFF

Lithium–sulfur battery (5,672 words) [view diff] exact match in snippet view article find links to article

; Hennig, Richard G.; Kumar, Nitin; Duin, Adri C. T. van (2015-01-21). "ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials". Phys

Nitryl cyanide (167 words) [view diff] exact match in snippet view article find links to article

6-Trinitro-1,3,5-Triazine (TNTA) Green Energetic Materials from DFT and ReaxFF Molecular Modeling". Materials. 15 (11): 3873. Bibcode:2022Mate...15.3873Z

Car–Parrinello molecular dynamics (2,222 words) [view diff] exact match in snippet view article find links to article

Ruizhi; Li, Xiao; Wu, Guoguang; Meng, Xianliang (2021-12-31). "Combined ReaxFF and Ab Initio MD Simulations of Brown Coal Oxidation and Coal-Water Interactions"

Gregory Odegard (1,694 words) [view diff] exact match in snippet view article find links to article

Zhang, Z. (2014). Predicting mechanical response of crosslinked epoxy using ReaxFF. Chemical Physics Letters, 591, 175–178. Odegard, G. M., Clancy, T. C.,

Space Shuttle thermal protection system (4,074 words) [view diff] exact match in snippet view article find links to article

Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential". J. Phys. Chem. C. 117: 258–269. doi:10.1021/jp3086649. Stein

Andres Jaramillo-Botero (1,797 words) [view diff] exact match in snippet view article find links to article

Goddard, III, William A.; Sun, Huai (June 2, 2014). "Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion" (PDF)