Preferential solvation and dynamics of Li+ in aqueous ammonia solution: An ONIOM-XS MD simulation study
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference51 articles.
1. A combinedab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH3Cl + Cl? exchange reaction and gas phase protonation of polyethers
2. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
3. QUANTUM MECHANICAL METHODS FOR ENZYME KINETICS
4. A QM/MM simulation method applied to the solution of Li+ in liquid ammonia
Cited by 15 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. Comparison of inhibition performance of thiadiazole derivatives containing sulfhydryl groups: Experimental and theoretical calculations;International Journal of Chemical Kinetics;2023-05-17
2. Hybrid Forces Molecular Dynamics on the Lability, Dynamics and “Structure Breaking Effect” of Cs+ in Liquid Ammonia;Bulletin of the Chemical Society of Japan;2021-01-15
3. Exploring preferential solvation, structure and dynamical properties or Rb+ in aqueous ammonia solution using ab initio Quantum Mechanical Charge Field (QMCF);Journal of Molecular Liquids;2020-01
4. The “surface” (S) state of the Br− hydration: An ONIOM-XS MD simulation study;Chemical Physics Letters;2020-01
5. Janus: An Extensible Open-Source Software Package for Adaptive QM/MM Methods;Journal of Chemical Theory and Computation;2019-06-19
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