Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
Author:
Affiliation:
1. Contribution from the Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja9621760
Reference62 articles.
1. Free energy calculations: a breakthrough for modeling organic chemistry in solution
2. Free energy calculations: Applications to chemical and biochemical phenomena
3. Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMRspectroscopy
Cited by 12354 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. Research on CO2 capture performance of DMEDA water-lean absorbents based on molecular dynamics;Separation and Purification Technology;2025-02
2. Pharmacophore Optimization using Pharmacophore Mapping, QSAR, Docking, and ADMET Screening of Novel Pyrimidines Derivatives as Anticancer DNA Inhibitors;Letters in Organic Chemistry;2025-01
3. Cubosome lipid nanocarriers for delivery of ultra-short antimicrobial peptides;Journal of Colloid and Interface Science;2025-01
4. A comparative study on the solubility of CH3SH and H2S in imidazolium-based ionic liquids: A connectionist approach between free volume and thermodynamics;Separation and Purification Technology;2025-01
5. Molecular insight on CO2/C3H8 mixed hydrate formation from the brine for sustainable hydrate-based desalination;Separation and Purification Technology;2025-01
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