Polarization energy gradients in combined quantum mechanics, effective fragment potential, and polarizable continuum model calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2711199
Reference34 articles.
1. Advances in electronic structure theory
2. Hybrid Quantum and Molecular Mechanical Simulations: An Alternative Avenue to Solvent Effects in Organic Chemistry
3. N-particle dynamics of polarizable Stockmayer-type molecules
4. Polarization model for water and its ionic dissociation products
5. Polarization model for water and its ionic dissociation products
Cited by 30 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. Recent developments in the general atomic and molecular electronic structure system;The Journal of Chemical Physics;2020-04-21
2. Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles;Journal of Chemical Theory and Computation;2019-08-22
3. A Boundary‐Integral Approach for the Poisson–Boltzmann Equation with Polarizable Force Fields;Journal of Computational Chemistry;2019-03-19
4. Computational Approach for Studying Optical Properties of DNA Systems in Solution;Journal of Chemical Theory and Computation;2016-09-14
5. The fragment molecular orbital method combined with density-functional tight-binding and the polarizable continuum model;Physical Chemistry Chemical Physics;2016
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