Electronic Structural Basis for the Atomic Partial Charges of Planar Molecular Systems Derived from Out-of-Plane Dipole Derivatives-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Electronic Structural Basis for the Atomic Partial Charges of Planar Molecular Systems Derived from Out-of-Plane Dipole Derivatives

Published:2015-03-23 Issue:13 Volume:119 Page:3277-3284
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Torii Hajime¹

Affiliation:

1. Department of Chemistry, Faculty of Education, and Department of Optoelectronics and Nanostructure Science, Graduate School of Science and Technology, Shizuoka University, 836 Ohya, Shizuoka 422-8529, Japan

Funder

Ministry of Education, Culture, Sports, Science, and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp512884g

Reference42 articles.

1. Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

2. Bonded-atom fragments for describing molecular charge densities

3. Natural population analysis

4. An approach to computing electrostatic charges for molecules

5. Atomic charges derived from semiempirical methods

Cited by 2 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. The First Hohenberg–Kohn Theorem Prevents Atomic Charges from Being Gathered from Vibrational Data;2024

2. Quantum Derivative Fitting and Biomolecular Force Fields: Functional Form, Coupling Terms, Charge Flux, Nonbond Anharmonicity, and Individual Dihedral Potentials;Journal of Chemical Theory and Computation;2015-11-16

同舟云学术

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