QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference30 articles.
1. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
2. Application of a Drude model to the binding of excess electrons to water clusters
3. Effective Hamiltonians for motions with disparate time scales: The quantum shell model and the classical statistical shell model
4. Accounting for polarization in molecular simulation
5. Polarizable force fields
Cited by 154 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. Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins;Journal of Chemical Information and Modeling;2024-01-10
2. Dirigent isoflavene-forming PsPTS2: 3D Structure, stereochemical and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea;Journal of Biological Chemistry;2024-01
3. Hydrogen irradiation-driven computational surface chemistry of lithium oxide and hydroxide;The Journal of Chemical Physics;2023-12-28
4. Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction;The Journal of Physical Chemistry B;2023-11-28
5. Reactive force field potential with shielded long-range Coulomb interaction: Application to graphene–water capacitors;Journal of Applied Physics;2023-11-08
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