The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268977000101561
Reference5 articles.
1. Some bilinear convergence characteristics of the solutions of dissymmetric secular equations
2. A first solution, for LiH, of a molecular transcorrelated wave equation by means of restricted numerical integration
3. The Nature of Intermolecular Forces
4. Exchange and Coulomb Energy of H2Determined by Various Perturbation Methods
5. Summary of exchange perturbation calculations for H2 at large separations
Cited by 21234 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. Weak interaction induced selective separation of V/Mo/Co from spent hydrodesulfurization catalyst leaching solution: Mechanism and strategy;Separation and Purification Technology;2025-02
2. Simultaneous desulfurization and dearomatization of simulated straight-run diesel with novel green DBN-based ionic liquids;Separation and Purification Technology;2025-02
3. Unveiling the conformational landscape of tizanidine and its effects on selective nucleation: Enabling controlled manipulation of polymorphs and solvates;Separation and Purification Technology;2025-02
4. Synthesis, QTAIM, anticancer activity analysis of pyrrole-imidazole/benzimidazole derivatives and investigation of their reactivity properties using DFT calculations and molecular docking;Journal of Molecular Structure;2025-02
5. Theoretical exploration and experimental investigation of acidic deep eutectic solvents as green solvents to separate carbazole from model crude anthracene oil;Separation and Purification Technology;2025-02
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