Lv21
140 积分 2025-01-21 加入
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
4小时前
已完结
Special points for Brillouin-zone integrations
5小时前
已完结
Generalized Gradient Approximation Made Simple
5小时前
已完结
Projector augmented-wave method
5小时前
已完结
200 °C-Stable Dielectric Polymer Enabled by Molecular-Scale Carrier Trapping: Synergy of Steric Hindrance and Deep Energy Level Engineering
17天前
已完结
Projector Augmented-Wave Method
1个月前
已完结
Small Power Nuclear Plants: Technical Level and Prospects for Commercialization (Review)
1个月前
已完结
Revisiting Oxygen Adsorption on Ir(100)
2个月前
已完结
Role of Oxygen in the Ti3AlC2 MAX Phase in the Oxide Formation and Conductivity of Ti3C2-Based MXene Nanosheets
2个月前
已完结
Investigation of the photocatalytic degradation of organochlorine pesticides on a nano-TiO2 coated film
2个月前
已采纳
Electrochemical behavior of LiCoO2 in a saturated aqueous Li2SO4 solution
2个月前
已采纳
Point defect effects on the thermal conductivity of β-SiC by molecular dynamics simulations
2个月前
已采纳
Synthesis and structural characterization of a 8-hydroxyquinoline derivative coordinated to Zn(II)
2个月前
已采纳
Understanding of twin patterns in AZ31 magnesium alloy under quasi-in situ compression via combined analysis of Schmid factor and strain coordination factor
2个月前
已采纳
Laboratory investigations into secondary organic aerosol derived from polycyclic aromatic hydrocarbons: Formation processes, underlying mechanisms, and implications for health
2个月前
已采纳
How CO2 poisons La2O3 in an OCM catalytic reaction: A study by in situ XRD-MS and DFT
2个月前
已采纳
Tunable molecular dipole moments and orientations for efficient and stable perovskite solar cells
2个月前
已采纳
Thermostabilization of Bacillus circulans xylanase via computational design of a flexible surface cavity
2个月前
已采纳
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