The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids
Author:
Affiliation:
1. Department of Chemical Engineering, University of Washington, Seattle, Washington 98105, United States
Funder
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.5b00689
Reference129 articles.
1. A review of ionic liquids towards supercritical fluid applications
2. Room temperature ionic liquids as emerging solvents for the pretreatment of lignocellulosic biomass
3. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
4. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
Cited by 341 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Comparative analysis of solution properties and microscopic interactions in [emim][OTf]-[eOHpy][OTf] Mixture and [emim][OTf]-PEA solution;Journal of Molecular Structure;2025-01
2. Slowdown of solvent structural dynamics in aqueous DMF solutions;Chemical Physics Impact;2024-12
3. Optimization and characterization of a biphasic solvent system for vinegar residue pretreatment: Enhanced fractionation efficiency, propionic acid production, and sustainability;Industrial Crops and Products;2024-12
4. Clarifying the mechanism of actions of suppressor, brightener and sodium chloride in acid copper electrodeposition: A multidisciplinary approach for a many variable problem;Journal of Electroanalytical Chemistry;2024-11
5. From docking to dynamics: Unveiling the potential non-peptide and non-covalent inhibitors of Mpro from natural products;Computers in Biology and Medicine;2024-10
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3