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118 积分 2022-01-13 加入
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry
4小时前
已完结
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
4小时前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
4小时前
已完结
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
4小时前
已完结
Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
4天前
已完结
Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach
9天前
已完结
Parameter-free coordination numbers for solutions and interfaces
27天前
已完结
Electrolyte effects on reaction kinetics in electrochemical CO2 reduction: The roles of pH, cations, and anions
28天前
已完结
Vacancy-formation energies at the (111) surface and in bulk Al, Cu, Ag, and Rh
1个月前
已关闭
Evaluating the stability and activity of dilute Cu-based alloys for electrochemical CO2 reduction
2个月前
已完结
H2O2/pH Dual-Responsive Biomimetic Nanoenzyme Drugs Delivery System for Enhanced Tumor Photodynamic Therapy
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