Convergent energies and anharmonic vibrational spectra of Ca2H2 and Ca2H4 constitutional isomers
Author:
Affiliation:
1. Center for Computational Quantum Chemistry
2. University of Georgia
3. Athens
4. Georgia
5. Department of Chemistry
Abstract
Three constitutional isomers of both Ca2H2 and Ca2H4 have been characterized with molecular electronic structure theory.
Funder
Basic Energy Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01643K
Reference63 articles.
1. Hydrido Complexes of Calcium: A New Family of Molecular Alkaline-Earth-Metal Compounds
2. Rational Design of a Well-Defined Soluble Calcium Hydride Complex
3. β-Diketiminate calcium hydride complexes: the importance of solvent effects
4. Heterolysis of Dihydrogen by Nucleophilic Calcium Alkyls
5. Super‐Bulky Penta‐arylcyclopentadienyl Ligands: Isolation of the Full Range of Half‐Sandwich Heavy Alkaline‐Earth Metal Hydrides
Cited by 4 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. Exploring the Tl 2H 2 potential energy surface: A comparative analysis with group 13 systems and experiment;Journal of Computational Chemistry;2024-01-10
2. Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance;Physical Chemistry Chemical Physics;2022
3. Exploring spectroscopic insights into molecular recognition of potential anti-Alzheimer's drugs within the hydrophobic pockets of β-cycloamylose;Journal of Molecular Liquids;2020-08
4. Dibridged, Monobridged, Vinylidene-Like, and Linear Structures for the Alkaline Earth Dihydrides Be2H2, Mg2H2, Ca2H2, Sr2H2, and Ba2H2. Proposals for Observations;Inorganic Chemistry;2020-07-16
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