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成就的依柔
Lv4
468 积分
2024-03-25 加入
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Role of Polarization in Halogen Bonds
4天前
已完结
HRgCN and HRgNC as halogen bond acceptors (Rg=Kr and Xe): A theoretical study upon strength and nature of halogen⋯nitrogen and halogen⋯carbon interactions
4天前
已完结
A new potential energy surface and rovibrational spectra of the CO–CO2 complex: Dependence on the antisymmetric stretching vibration of CO2
17天前
已关闭
Potential energy surfaces and bound state calculations for Ne–CO complex: rovibrational spectra and isotope effects
17天前
已完结
2-Phenylethyne-1-Sulfonamide Derivatives as New Drugs Candidates for Heat Shock Protein 70 and Doublecortin-like Kinase
21天前
已完结
Computation of CCSD(T)-Quality NMR Chemical Shifts via Δ-Machine Learning from DFT
24天前
已完结
Extended Benchmark Set of Main-Group Nuclear Shielding Constants and NMR Chemical Shifts and Its Use to Evaluate Modern DFT Methods
24天前
已完结
Do Double-Hybrid Exchange-Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR
24天前
已完结
Simple, Efficient, and Universal Energy Decomposition Analysis Method Based on Dispersion-Corrected Density Functional Theory
2个月前
已完结
Visualization Analysis of Weak Interactions in Chemical Systems
2个月前
已完结
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已找到【积分已退回】
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21天前
感谢,速度真快,帮大忙了,么么哒
24天前
感谢,帮大忙了
24天前
感谢,速度真快,帮大忙了
2个月前
感谢,速度真快
2个月前
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