Lv5
880 积分 2022-02-26 加入
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project
14天前
已完结
Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence
14天前
已关闭
Fermi-Level-Dependent Defect Chemistry and Oxygen Evolution Reaction Activity of Fe-Doped and Oxygen-Deficient SrTiO3(001)
14天前
已完结
Symmetry BreakingInduced by Hydration-Number TuningEnables Second-Order Nonlinear Optical Responses in Lanthanum SulfateHydrates
17天前
已完结
Theoretical Studies on Iron‐Catalyzed Enantioselective Hydrogenation of Alkenes
18天前
已完结
Liquid metal for high-entropy alloy nanoparticles synthesis
22天前
已完结
Mechanistic Insights into the Pd-Catalyzed Carbonylation of Alkynol for $α$-Methylene-$β$-Lactone Formation
2个月前
已关闭
Multifunctional properties of manganese pnictides: A first-principles study on magneto-optics and magnetocaloric properties
2个月前
已完结
Modeling the high-pressure solid and liquid phases of tin from deep potentials with ab initio accuracy
2个月前
已完结
Bulk hexagonal diamond
2个月前
已完结
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