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What Far‐Infrared Spectra Can Contribute to the Development of Force Fields for Ionic Liquids Used in Molecular Dynamics Simulations
4天前
已完结
Probing Intermolecular Interactions in Water/Ionic Liquid Mixtures by Far-infrared Spectroscopy
4天前
已完结
Molecular mechanism of cellulose dissolution in N-methyl morpholine-N-oxide: A molecular dynamics simulation study
5天前
已完结
Molecular insight into the dissolution-degradation process of cellulose bunch in ionic liquids
5天前
已完结
Physical information neural network combined with the symbolic regression: A machine learning method for prediction of dielectric constants in organic liquids and water mixtures
9天前
已完结
Structural, electronic, and bonding properties of liquid water from first principles
9天前
已完结
Raman spectroscopy of shear and layer breathing modes in multilayer MoS2
9天前
已完结
Dissecting the THz spectrum of liquid water from first principles via correlations in time and space
9天前
已完结
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
9天前
已完结
Visualizing the structural evolution of individual active sites in MoS2 during electrocatalytic hydrogen evolution reaction
14天前
已完结
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