Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents
Author:
Affiliation:
1. Institute of Technical Thermodynamics, RWTH Aachen University, 52062 Aachen, Germany
2. Institute of Thermal Separation Processes, TU Hamburg, 21073 Hamburg, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c01606
Reference51 articles.
1. Synthesis of Poly(N-vinylcaprolactam)-Based Microgels by Precipitation Polymerization: Process Modeling and Experimental Validation
2. Kinetic Modeling of Precipitation Terpolymerization for Functional Microgels
3. Integrated Design of Solvents and Processes based on Reaction Kinetics from Quantum Chemical Prediction Methods
4. Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules
5. Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies
Cited by 21 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. Hybrid Cluster-Continuum Method for Single-Ion Solvation Free Energy in Acetonitrile Solvent;The Journal of Physical Chemistry A;2024-07-25
2. Unveiling the hydrophilic nature of SDS surfactant through molecular simulations: Exploring the influence of charge distribution on interfacial properties in the vacuum/SDS/water system;Journal of Molecular Liquids;2024-05
3. Theoretical and practical investigation of ion–ion association in electrolyte solutions;The Journal of Chemical Physics;2024-04-19
4. Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains;Industrial & Engineering Chemistry Research;2024-04-17
5. How to Deal with Charge in the Ranking of Lewis Acidity: Critical Evaluation of an Extensive Set of Cationic Lewis Acids;Angewandte Chemie International Edition;2024-04-08
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