https://www.selleckchem.com/pr....oducts/glx351322.htm
e., possible reactions in the region of influence of the "ongoing reaction". Benchmarks on KMC simulations of NO x oxidation/reduction, yielded acceleration factors of up to 20, when comparing single-thread runs without caching to runs on 16 threads with caching, for simulations with a cluster expansion Hamiltonian that incorporates up to 8th-nearest-neighbor interactions.Ionization potentials (IPs) for MO3 and MO2 for M = U, Mo, W, and Nd have been predicted using the Feller-Peterson-Dixon (FPD) approach at the coupled cluster CCSD(T
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