Lv3
326 积分 2025-12-18 加入
Automatic atom type and bond type perception in molecular mechanical calculations
13天前
已完结
Development and testing of a general amber force field
13天前
已完结
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
13天前
已完结
Amine-Functionalized Task-Specific Ionic Liquids: A Mechanistic Explanation for the Dramatic Increase in Viscosity upon Complexation with CO2 from Molecular Simulation
24天前
已完结
Molecular simulation of carbon dioxide capture by montmorillonite using an accurate and flexible force field
25天前
已完结
Evaluating Biocompatible Amino Acid-Based Poly(ionic liquid)s for CO2 Absorption
2个月前
已完结
Experimental and Theoretical Studies of Preferential Solvation of 4-Nitroaniline and 4-Nitroanisole in an Amino Acid Ionic Liquid with Molecular Solvents
2个月前
已完结
Ultrahigh SO2 selective absorption in SO2/CO2 mixtures via reversible solid–liquid phase transition in tunable ionic liquids
2个月前
已完结
Ether Functionalized Choline Tethered Amino Acid Ionic Liquids for Enhanced CO2 Capture
2个月前
已完结
Molecular mechanism of CO2 absorption in phosphonium amino acid ionic liquid
2个月前
已完结
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