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A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
4小时前
已完结
Kinetic model studies of atmospheric droplet chemistry: 2. Homogeneous transition metal chemistry in raindrops
28天前
已完结
Interaction of cesium compounds with abundant inorganic compounds of atmosphere: Effect on cloud formation potential and settling
1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
3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
4个月前
已完结
Formation of a two-dimensional helical square tube ice in hydrophobic nanoslit using the TIP5P water model
4个月前
已完结
The performance of OPC and OPC3 water models in predictions of 2D structures under nanoconfinement
4个月前
已完结
Rich proton dynamics and phase behaviours of nanoconfined ices
4个月前
已完结
Efficient exploration of complex free energy landscapes by stepwise multi-subphase space metadynamics
4个月前
已完结
Inorganic Chemistry
4个月前
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