Molecular electrostatic charge models: A topographical approach
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference24 articles.
1. and in Theoretical Models of Chemical Bonding, Part 4, Ed. (Springer-Verlag, Berlin, 1991).
2. Cumulative atomic multipole moments complement any atomic charge model to obtain more accurate electrostatic properties
3. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
4. Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acid
5. Point-Charge Models for Molecules Derived from Least-Squares Fitting of the Electric Potential
Cited by 8 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. Prelude to Molecular Dynamics‐II: Investigation of Potential Energy Surfaces Using Gaussian Charge Models;ChemistrySelect;2020-09-16
2. Prelude to molecular dynamics: Topography-driven gaussian charge models;International Journal of Quantum Chemistry;2018-11-21
3. Electrostatic Potential-Based Method of Balancing Charge Transfer Across ONIOM QM:QM Boundaries;Journal of Chemical Theory and Computation;2014-09-15
4. CheckDen: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density;Computational Biology and Chemistry;2003-07
5. Molecular electrostatic potentials and fields: hydrogen bonding, recognition, reactivity and modelling;Theoretical and Computational Chemistry;1996
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