Lv6
2628 积分 2024-10-08 加入
Copper integrative catalytic pairs with mixed-valence Cu2+-Cu3+ Species for selective alkyne conversion
15天前
已完结
Ligand-restricted synthesis of highly paired dual-atom catalysts
15天前
已完结
Surpassing the single-atom catalytic activity limit through paired Pt-O-Pt ensemble built from isolated Pt1 atoms
15天前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
17天前
已完结
Reversible work transition state theory: application to dissociative adsorption of hydrogen
17天前
已完结
Improved grid‐based algorithm for Bader charge allocation
17天前
已完结
A fast and robust algorithm for Bader decomposition of charge density
17天前
已完结
Formation enthalpies by mixing GGA and GGA+Ucalculations
17天前
已完结
Oxidation energies of transition metal oxides within theGGA+Uframework
17天前
已完结
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
17天前
已完结
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