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Nitric oxide assists nitrogen reduction reaction on 2D MBene: A theoretical study
3小时前
已完结
Reversible active bridging sulfur sites grafted on Ni3S2 nanobelt arrays for efficient hydrogen evolution reaction
3小时前
已完结
Density Functional Theory Study of the Silicene-like SiX and XSi3 (X = B, C, N, Al, P) Honeycomb Lattices: The Various Buckled Structures and Versatile Electronic Properties
28天前
已完结
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
28天前
已完结
Projector augmented-wave method
28天前
已完结
Alternative energy technologies
28天前
已完结
Kohn—Sham density-functional theory within a finite basis set
1个月前
已完结
Hohenberg-Kohn theorem and non-V-representable densities
1个月前
已关闭
Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
1个月前
已完结
Status and Challenges of Density Functional Theory
1个月前
已完结
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