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1050 积分 2022-02-26 加入
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
2小时前
已完结
New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation
2天前
已完结
Local magnetic structure in fully and partially ordered V 2 X Al Heusler alloys ( X = Cr, Mn, Fe, Co, Ni)
5天前
已完结
Machine Learning Toolkits and Frameworks for Materials Design
8天前
已完结
Atomic Pathways of Ammonia-Driven Fe3O4 Reduction Revealed by First-Principles Calculations
16天前
已完结
Bulk hexagonal diamond
18天前
已完结
Crystal-symmetry-paired spin–valley locking in a layered room-temperature metallic altermagnet candidate
20天前
已完结
A metallic room-temperature d-wave altermagnet
20天前
已完结
Theoretical Insights into Metal-Fe@NC Dual-Atom Catalysts for Oxygen Reduction Reaction
22天前
已完结
Tailoring spin-exchange interactions and topological magnons in 2D ferromagnetic van der WaalsCrI3/As bilayer via multiple stacking orders: A first-principles study
22天前
已关闭
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