Directab initiovariational calculation of vibrational energies of the H2O⋯Cl− complex and resolution of experimental differences
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1324704
Reference25 articles.
1. Vibrational Spectroscopy of the Cl-(H2O)n Anionic Clusters, n = 1−5
2. Vibrational Spectroscopy of the Ionic Hydrogen Bond: Fermi Resonances and Ion−Molecule Stretching Frequencies in the Binary X-·H2O (X = Cl, Br, I) Complexes via Argon Predissociation Spectroscopy
3. Quantitative Description of Hydrogen Bonding in Chloride−Water Clusters
4. Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field
5. Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory
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. Competition between Solvent···Solvent and Solvent···Solute Interactions in the Microhydration of the Tetrafluoroborate Anion, BF4–(H2O)n=1,2,3,4;The Journal of Physical Chemistry A;2023-09-29
2. Hydrated electrons and cluster science;Journal of Molecular Structure;2022-02
3. Anharmonic vibrational computations with a quartic force field for curvilinear coordinates;The Journal of Chemical Physics;2019-08-14
4. Nuclear Quantum Effects and Thermodynamic Properties for Small (H2O)1–21X– Clusters (X– = F–, Cl–, Br–, I–);The Journal of Physical Chemistry A;2018-04-11
5. Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach;The Journal of Chemical Physics;2018-02-14
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