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334 积分 2024-03-01 加入
A two-dimensional vertical van der Waals heterostructure based on g-GaN and Mg(OH)2 used as a promising photocatalyst for water splitting: A first-principles calculation
25天前
已完结
Discovery of aluminum alloys with ultra-strength and high-toughness via a property-oriented design strategy
1个月前
已完结
HNODThia: A Promising Chelator for the Development of 64Cu Radiopharmaceuticals
1个月前
已完结
Integrating Sulfate with Crown Ether To Construct Supramolecular Radium Traps in an Anionic Zirconium Metal–Organic Framework
1个月前
已完结
Outliers in Shannon’s effective ionic radii table and the table extension by machine learning
1个月前
已完结
Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction
1个月前
已完结
Molassembler: Molecular Graph Construction, Modification, and Conformer Generation for Inorganic and Organic Molecules
2个月前
已完结
Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials
2个月前
已完结
Extending Shannon's ionic radii database using machine learning
3个月前
已完结
Bringing atoms to bedside with targeted alpha therapy
3个月前
已完结
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