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30 积分 2022-08-25 加入
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
2天前
已完结
LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
2天前
已完结
Projector augmented-wave method
2天前
已完结
Alternative energy technologies
2天前
已完结
Kohn—Sham density-functional theory within a finite basis set
12天前
已完结
Hohenberg-Kohn theorem and non-V-representable densities
12天前
已关闭
Identification of single-atom active sites in carbon-based cobalt catalysts during electrocatalytic hydrogen evolution
12天前
已完结
Status and Challenges of Density Functional Theory
17天前
已完结
Strain engineering in functional 2-dimensional materials
19天前
已完结
Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped graphene
19天前
已完结
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