Solvent Effect on Acidity: A Hybrid Approach Based on the RISM and the Hartree−Fock Equations
Author:
Affiliation:
1. Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-01, Japan, and Institute for Molecular Science, Myodaiji, Okazaki, Aichi 444, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp952102v
Reference41 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids
3. An extended rism equation for molecular polar fluids
4. Application of an extended RISM equation to dipolar and quadrupolar fluids
5. The interionic potential of mean force in a molecular polar solvent from an extended RISM equation
Cited by 44 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. Interpretation of Both Electron Pushing and Electron Withdrawing Inductive Effect of Alkyl Groups in Terms of Mulliken-Jaffe’s Charge Coefficient Parameters (b);Resonance;2019-04
2. Transition Metal-Free-Catalyzed Regioselective Reversal in the Cyclization of 2-Diazo-3,5-dioxo-6-ynoates/ynones/ynamide: Synthesis of Diazo γ-Pyrones and Diazo 3(2H)-Furanones;Chinese Journal of Organic Chemistry;2018
3. A modern solvation theory: quantum chemistry and statistical chemistry;Physical Chemistry Chemical Physics;2013
4. Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem Package;Journal of Chemical Theory and Computation;2012-03-27
5. Hydration of acetic acid and acetate ion in water studied by 1D-RISM theory;Journal of Molecular Liquids;2011-12
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