Lv71
4520 积分 2021-01-26 加入
Detailed examination of nitrile stretching vibrations relevant for understanding the behavior of thermally treated polyacrylonitrile
14小时前
待确认
Efficient nickel-catalyzed hydrocyanation of alkenes using acetone cyanohydrin as a safer cyano source
14小时前
待确认
Photoinduced, Copper-Catalyzed Carbon–Carbon Bond Formation with Alkyl Electrophiles: Cyanation of Unactivated Secondary Alkyl Chlorides at Room Temperature
14小时前
待确认
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
15天前
已完结
Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts
19天前
已完结
Neural network approach for predicting infrared spectra from 3D molecular structure
19天前
已完结
Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids
21天前
已完结
A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate
21天前
已完结
Bridging quantum mechanics to liquid properties via a universal organic force field
22天前
已关闭
A systematic drude-based parameterization workflow and polarizable force field for battery electrolytes
1个月前
已完结
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