Quantum Mechanical Calculations for Benzene Dimer Energies: Present Problems and Future Challenges
Author:
Affiliation:
1. Organic Chemistry Laboratory, Swiss Federal Institute of Technology, ETH-Hönggerberg, CH-8093 Zurich, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct0502357
Reference19 articles.
1. Potential Energy Surface for the Benzene Dimer. Results of ab Initio CCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced
2. Energy profile of the interconversion path between T-shape and slipped-parallel benzene dimers
Cited by 66 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. Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion;The Journal of Chemical Physics;2023-06-15
2. A Formulation of the Many-Body Expansion (MBE) for Periodic Systems: Application to Several Ice Phases;The Journal of Physical Chemistry Letters;2023-01-24
3. Integral-Direct Hartree–Fock and Møller–Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal;Journal of Chemical Theory and Computation;2022-08-15
4. Decisive Influence of Environment on Aromatic/Aromatic Interaction Geometries. Comparison of Aromatic/Aromatic Interactions in Crystal Structures of Small Molecules and in Protein Structures;Crystal Growth & Design;2021-03-24
5. Theoretical Insights for Materials Properties of Cyclic Organic Nanorings;Advanced Theory and Simulations;2020-09-03
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