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60 积分 2022-10-20 加入
Assessment of advanced xDH@B3LYP methods in describing various potential energy curves driven by π-π, CH/π, and SH/π non-bonded interactions
8个月前
已关闭
Effects of Reagent Rotational Excitation on OH+HCl→Cl+H2O Reaction
8个月前
已完结
Compact silicon-based polarization beam splitter using directional couplers assisted with subwavelength gratings
11个月前
已关闭
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
1年前
已完结
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
1年前
已关闭
A transferable recommender approach for selecting the best density functional approximations in chemical discovery
1年前
已完结
A transferable recommender approach for selecting the best density functional approximations in chemical discovery
2年前
已完结
Redox induced electron transfer in lithium polysulfide – A DFT study
3年前
已完结
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