The influence of quantum forces on molecular dynamics simulation results for hydrated aluminium(III)
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference26 articles.
1. The Biological Chemistry of Life;da Silva,1991
2. Influence of polarization and many body quantum effects on the solvation shell of Al(iii) in dilute aqueous solution—extended ab initio QM/MM MD simulations
3. Water exchange on metal ions: experiments and simulations
4. Applications of advanced experimental techniques: high pressure NMR and computer simulationsBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany.
Cited by 22 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. Density Functional Theory Studies on the Real and Apparent Water-Exchange Reaction Kinetics of Al3+ in Aqueous Solution;ACS Earth and Space Chemistry;2019-08-19
2. The Jahn-Teller effect in mixed aqueous solution: the solvation of Cu2+ in 18.6% aqueous ammonia obtained from ab initio quantum mechanical charge field molecular dynamics;Pure and Applied Chemistry;2019-06-29
3. Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2018-10-04
4. Ultrasensitivity of Water Exchange Kinetics to the Size of Metal Ion;Journal of the American Chemical Society;2017-09-01
5. Characterization of structure and dynamics of the solvated indium(III) ion by an extended QM/MM molecular dynamics simulation;Computational and Theoretical Chemistry;2014-12
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