Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate Methods
Author:
Affiliation:
1. Environmental Chemistry Modeling Laboratory, EPFL, Lausanne, Switzerland
2. Swiss Federal Institute of Aquatic Science and Technology (Eawag), Dübendorf, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300846m
Reference108 articles.
1. Theoretical Investigation of Atmospheric Oxidation of Biogenic Hydrocarbons: A Critical Review
2. Elementary Processes in Atmospheric Chemistry: Quantum Studies of Intermolecular Dimer Formation and Intramolecular Dynamics
3. Unimolecular Reactions of Peroxy Radicals in Atmospheric Chemistry and Combustion
4. HOCO Radical Chemistry
5. QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS FOR OXIDATION REACTIONS OF ORGANIC CHEMICALS IN WATER
Cited by 46 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. Generalized perturbative singles corrections to the random phase approximation method: Impact on noncovalent interaction energies of closed- and open-shell dimers;The Journal of Chemical Physics;2024-01-23
2. Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and astrochemical implications;Molecular Physics;2023-09-25
3. Detection and Correction of Delocalization Errors for Electron and Hole Polarons Using Density-Corrected DFT;The Journal of Physical Chemistry Letters;2022-06-08
4. Open-Shell Variant of the London Dispersion-Corrected Hartree–Fock Method (HFLD) for the Quantification and Analysis of Noncovalent Interaction Energies;Journal of Chemical Theory and Computation;2022-02-15
5. Exploring the Limits of Second- and Third-Order Møller–Plesset Perturbation Theories for Noncovalent Interactions: Revisiting MP2.5 and Assessing the Importance of Regularization and Reference Orbitals;Journal of Chemical Theory and Computation;2021-08-12
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