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590 积分 2021-10-15 加入
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
26天前
已完结
Kinetic model studies of atmospheric droplet chemistry: 2. Homogeneous transition metal chemistry in raindrops
1个月前
已完结
Interaction of cesium compounds with abundant inorganic compounds of atmosphere: Effect on cloud formation potential and settling
2个月前
已完结
The water–boryl radical as a proton-coupled electron transfer reagent for carbon dioxide, formic acid, and formaldehyde — Theoretical approach
4个月前
已完结
A Systematic and Comparative Analysis of Four Major Classes of DFT Functionals to Compute Linear and Nonlinear Optical Properties of Benchmark Molecules
5个月前
已完结
Formation of a two-dimensional helical square tube ice in hydrophobic nanoslit using the TIP5P water model
5个月前
已完结
The performance of OPC and OPC3 water models in predictions of 2D structures under nanoconfinement
5个月前
已完结
Rich proton dynamics and phase behaviours of nanoconfined ices
5个月前
已完结
Efficient exploration of complex free energy landscapes by stepwise multi-subphase space metadynamics
5个月前
已完结
Inorganic Chemistry
5个月前
已关闭
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