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Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J
6个月前
已完结
Effects of water adsorption on active site-dependent H2 activation over MgO nanoflakes
7个月前
已完结
Ammonia as a renewable energy carrier from synthesis to utilization
1年前
已完结
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