Lv4
708 积分 2023-11-16 加入
Special points for Brillouin-zone integrations
1个月前
已完结
Effect of the damping function in dispersion corrected density functional theory
1个月前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
1个月前
已完结
From ultrasoft pseudopotentials to the projector augmented-wave method
1个月前
已完结
Generalized Gradient Approximation Made Simple
1个月前
已完结
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
1个月前
已完结
Degradation of tetracycline by peroxymonosulfate activated with zero-valent iron: Performance, intermediates, toxicity and mechanism
1个月前
已完结
Singlet oxygen-dominated transformation of oxytetracycline by peroxymonosulfate with CoAl-LDH modified hierarchical porous ceramics: Toxicity assessment
1个月前
已完结
Unprecedented Nonphotomediated Hole (h+ ) Oxidation System Constructed from Defective Carbon Nanotubes and Superoxides
1个月前
已完结
Hetero-interface-engineered sulfur vacancy and oxygen doping in hollow Co9S8/Fe7S8 nanospheres towards monopersulfate activation for boosting intrinsic electron transfer in paracetamol degradation
1个月前
已完结
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