Coupled Cluster in Condensed Phase. Part I: Static Quantum Chemical Calculations of Hydrogen Fluoride Clusters
Author:
Affiliation:
1. Institute for Chemistry, Chemnitz University of Technology, Strasse der Nationen 62, 09111 Chemnitz, Germany
2. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, D-04103 Leipzig, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct100131c
Reference99 articles.
1. Water: From Clusters to the Bulk
2. The Secret of Dimethyl Sulfoxide−Water Mixtures. A Quantum Chemical Study of 1DMSO−nWater Clusters
3. A critical analysis of electronic density functionals for structural, energetic, dynamic, and magnetic properties of hydrogen fluoride clusters
4. HF dimer: Empirically refined analytical potential energy and dipole hypersurfaces from ab initio calculations
5. Hydrogen bond cooperativity and electron delocalization in hydrogen fluoride clusters
Cited by 42 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. Percolation transition and bimodal density distribution in hydrogen fluoride;The Journal of Chemical Physics;2024-05-24
2. Linear Scaling Incremental Scheme for Correlation Energies with Embedding Generated Virtuals;Journal of Chemical Theory and Computation;2024-04-08
3. The effect of machine learning predicted anharmonic frequencies on thermodynamic properties of fluid hydrogen fluoride;The Journal of Chemical Physics;2024-03-22
4. Making quantum chemistry compressive and expressive: Toward practical ab‐initio simulation;WIREs Computational Molecular Science;2024-03
5. Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters, (HF)n, n = 3 to 8, Revealed by the Molecular Tailoring Approach;The Journal of Physical Chemistry A;2021-10-06
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