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30 积分
2022-10-13 加入
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A theoretical study of the electron paramagnetic resonance spectra and local environment in copper(II) complexes with different imidazole and chlorido ligands
1小时前
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Mutual modulationviacharge transfer and unpaired electrons of catalytic sites for the superior intrinsic activity of N2reduction: from high-throughput computation assisted with a machine learning perspective
1个月前
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High-throughput screening of carbon nitride single-atom catalysts for nitrogen fixation based on machine learning
1个月前
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Van der Waals Template‐Assisted Low‐Temperature Epitaxial Growth of 2D Atomic Crystals
2个月前
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h2D-C2N/C3B Two-Dimensional Heterostructures: A Direct Z-Scheme Photocatalyst for Overall Water Splitting
2个月前
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An investigation of the role of transition metal ions impurities in CdO: Local structure and electronic properties
4个月前
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Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents
4个月前
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A Theoretical Study of Local Electronic–Magnetic Properties for LiCoMnO4 in the Charge and Discharge Process
4个月前
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An isolated bimetallic Fe–Ru single-atom catalyst for efficient electrochemical nitrogen reduction
6个月前
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First-Principles Study of the Gas Sensing of Benzene and Formaldehyde by Ag2O- and CuO-Modified MoSe2 Nanosheets
6个月前
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