Understanding hBN epitaxial growth on Ru(0001) through DFT and microkinetic modeling highlights key mechanisms and the impact ...
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Dahaize Coal Mine, Inner Mongolia Shendong Tianlong Group Co., Ltd., Yulin 719315, P. R. China ...
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GPU based Kinetic Monte Carloi (KMC) simulation package for Sichuan University (based on migration-coalescence diffusion model for objects migration-coalescence diffusion-evolutions in materials).
In the near future we expect that a sufficient number of rate constants will be measured, by our group and others, to allow for aspects of prebiotic chemistry to be predicted using chemical kinetics ...
To shed some light in the topic we have studied the reactivity of the C 5 H 5 N + CN theoretically, characterizing the potential energy surface (PES) of the system and complementing the static study ...
A recent molecular dynamics (MD) study on ion solvation found a decrease in the diffusion coefficient with increasing ion concentration in a diblock copolymer (Seo et al., 2019). In our previous study ...