Comparison of atomic charge distributions obtained from different procedures: basis set and electron correlation effects
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference59 articles.
1. Molecular Mechanics;Burkert,1982
2. Molecular mechanics. The MM3 force field for hydrocarbons. 1
3. AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions
4. A new force field for molecular mechanical simulation of nucleic acids and proteins
5. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
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. Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (mpro): a molecular docking, molecular dynamics and structure-activity relationship studies;Journal of Biomolecular Structure and Dynamics;2020-11-17
2. Correcting long-range electrostatics in DFTB;The Journal of Chemical Physics;2019-06-21
3. The effect of substituents of phosphonium-based ionic liquids evaluated by MP2 calculation;Journal of Molecular Liquids;2019-01
4. Probing the role of solvation in predicting the π-facial selectivity of 5-Fluoro-2-methyleneadamantane with per-acid: A case study;Computational and Theoretical Chemistry;2013-12
5. In Silico Studies toward Understanding the Interactions of DNA Base Pairs with Protonated Linear/Cyclic Diamines;The Journal of Physical Chemistry B;2013-08-19
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