Critical assessment of the hybrid QM/MM-pol-vib approach: Small water clusters using polarizable flexible water potentials
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference33 articles.
1. ; In Solvent Effects and Chemical Reactivity; ; Eds.; Kluwer: Dordrecht, The Netherlands, 1996; p. 1 and references therein.
2. Polarisabilites mol�culaires et effet di�lectrique de milieu � l'�tat liquide. �tude th�orique de la mol�cule d'eau et de ses dim�res
3. Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory
4. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
5. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
Cited by 17 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. Mutually polarizable QM/MM model with in situ optimized localized basis functions;The Journal of Chemical Physics;2019-02-21
2. Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis;Journal of Chemical Theory and Computation;2017-05-01
3. TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field;The Journal of Chemical Physics;2016-09-28
4. LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields;Journal of Computational Chemistry;2016-01-18
5. Helmholtz Energy Change between Neutral and Zwitterionic Forms of Glycine in Aqueous Solution Using Ab Initio Expanded QM/MM-MC with QM Solvent;Chemistry Letters;2013-09-05
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