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130 积分 2025-07-18 加入
Theoretical Study of Weakly Bound Adsorbates on Au(111): Tests on van der Waals Density Functionals
3天前
已完结
Stabilities and Reconstructions of PbTe Crystal Surfaces from Density-Functional Theory
7天前
已完结
https://pubs.acs.org/doi/10.1021/acscatal.9b05371
22天前
已完结
CO Adsorption and Activation of η-Fe2C Fischer–Tropsch Catalyst
22天前
已完结
The application of DFT calculation in the study of iron-based catalyst for Fischer-Tropsch synthesis
1个月前
已完结
https://pubs.acs.org/doi/10.1021/acs.chemrev.2c00508
2个月前
已完结
Multiconfiguration Pair-Density Functional Theory with Quantum Embedding Predicts Correct CO Adsorption Sites on Copper Facets
2个月前
已完结
Molecular Dynamics Simulations of the Surface Reconstructions of Pt(557) and Au(557) under Exposure to CO
3个月前
已完结
Selective activation of dioxygen to singlet oxygen over La-Si co-doped TiO2 microspheres for photocatalytic degradation of formaldehyde
4个月前
已完结
One-Pot Synthesis of Fe(III)-Curcumin Coordination Polymer Nanoparticles with Dynamic Disassembly and Elimination Abilities for Cancer Therapy
6个月前
已完结
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