Density functional theory (DFT) calculations were used to explore the Au(I)-catalyzed selective [4 + 1] annulations of cyclopropyl- and H-substituted 1,4-diyn-3-ols with isoxazole. The results indicated that after the...
Density functional theory (DFT) calculations were used to explore the Au(I)-catalyzed selective [4 + 1] annulations of cyclopropyl- and H-substituted 1,4-diyn-3-ols with isoxazole. The results indicated that after the...
The kinetic Monte Carlo (KMC) method is a powerful and simple tool to simulate the growth of thin films by deposition. However, one of its major drawbacks is the artificial order induced by the use of regular lattices. An...
The kinetic Monte Carlo (KMC) method is a powerful and simple tool to simulate the growth of thin films by deposition. However, one of its major drawbacks is the artificial order induced by the use of regular lattices. An...
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