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20 积分 2026-06-17 加入
Improving Quantum-Chemical Prediction of 19F NMR Chemical Shifts via Machine Learning
15小时前
已完结
Accessible hybrid DFT-quality NMR crystallography via gas-phase machine learning interatomic potentials
15小时前
已完结
Synthesis and Stereochemical Assignment of Diastereomeric Steroidal Spiro-1,2,4-trioxolanes with Sitostanone Motif Using PLS2 Chemometric Analysis of DFT-Calculated and Experimental 13C NMR Data
15小时前
已完结
Synthesis and multimodal characterization of flavonols: electrochemical, spectroscopic, and DFT approaches
15小时前
已完结
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