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20 积分 2025-07-14 加入
VMD: Visual molecular dynamics
16天前
已完结
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
16天前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
16天前
已完结
The path to complete defluorination of PFAS
5个月前
已完结
Fatty Acid Metabolic Impairment in Soil Microbes Induced by PFAS: Dependence on the Fluorocarbon Chain Length, Headgroups, and Ether Attached
8个月前
已完结
Occurrence and Bioaccumulation Patterns of Per- and Polyfluoroalkyl Substances (PFAS) in the Marine Environment
8个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
8个月前
已完结
Electrochemical Stability of Imidazolium Based Ionic Liquids Containing Cyano Groups in the Anion: A Cyclic Voltammetry, XPS and DFT Study
8个月前
已完结
Flow line of density functional theory in heterogeneous persulfate-based advanced oxidation processes for pollutant degradation: A review
10个月前
已完结
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