Atomic Charges Are Measurable Quantum Expectation Values: A Rebuttal of Criticisms of QTAIM Charges
Author:
Affiliation:
1. Department of Chemistry, McMaster University, Hamilton, Ontario L8S 4M1, Canada, and Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0482666
Reference85 articles.
1. Diffusion of High Energy Gamma-Rays through Matter. III. Refinement of the Solution of the Diffusion Equation
2. Schwinger, J. S.; Milton, K. A.A Quantum Legacy: Seminal Papers ofJulian Schwinger; World Scientific: River Edge, NJ, 2000.
3. Anisotropic Photochemical Reactivity of Bulk TiO2 Crystals
Cited by 223 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. Electronic Force Density Fields: Insights into Partial Bonds, Transition States, and Chemical Structure Evolution;The Journal of Physical Chemistry A;2024-08-26
2. Toward the Chemical Structure of Diborane: Electronic Force Density Fields, Effective Electronegativity, and Internuclear Turning Surface Properties;The Journal of Physical Chemistry A;2024-08-20
3. PACMAN: A Robust Partial Atomic Charge Predicter for Nanoporous Materials Based on Crystal Graph Convolution Networks;Journal of Chemical Theory and Computation;2024-06-01
4. Symmetry-Constrained Properties Behave Differently for 2D or 3D Structures under the Same Point Group;The Journal of Physical Chemistry A;2024-05-17
5. Outstanding Properties of the Hydration Shell around β-d-Glucose: A Computational Study;ACS Omega;2024-04-25
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