Study of Cl−(H2O)n(n= 1-4) using basin-hopping method coupled with density functional theory-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Study of Cl−(H2O)n(n= 1-4) using basin-hopping method coupled with density functional theory

Published:2013-10-31 Issue:2 Volume:35 Page:159-165
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Jiang Shuai¹,Liu Yi-Rong¹,Huang Teng¹,Wen Hui¹,Xu Kang-Ming¹,Zhao Wei-Xiong¹,Zhang Wei-Jun¹²,Huang Wei¹²

Affiliation:

1. Laboratory of Atmospheric Physico-Chemistry; Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences; Hefei Anhui 230031 China

2. School of Environmental Science and Optoelectronic Technology; University of Science and Technology of China; Hefei Anhui 230026 China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference42 articles.

1. Comparative ab initio study of the structures, energetics and spectra of X[sup −]⋅(H[sub 2]O)[sub n=1–4] [X=F, Cl, Br, I] clusters

2. Properties and nature of interactions in Cl−(H2O)nn=1,6 clusters: a theoretical study

3. Hydration of the halide negative ions in the gas phase. II. Comparison of hydration energies for the alkali positive and halide negative ions

4. Solvation of halide ions with water and acetonitrile in the gas phase

5. An infrared study of the competition between hydrogen-bond networking and ionic solvation: Halide-dependent distortions of the water trimer in the X−⋅(H2O)3, (X=Cl, Br, I) systems

Cited by 38 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. Energetics and spectroscopic studies of CNO(‐)(H2O)n$$ {\mathbf{CNO}}^{\left(\hbox{-} \right)}{\left({\mathbf{H}}_{\mathbf{2}}\mathbf{O}\right)}_{\mathbf{n}} $$ clusters and the temperature dependencies of the isomers: An approach based on a combined recipe of parallel tempering and quantum chemical methods;Journal of Computational Chemistry;2024-08-16

2. Effects of Na+ and Cl− on hydrated clusters by ab initio study;The Journal of Chemical Physics;2023-07-25

3. Theoretical Study of the Gas-Phase Hydrolysis of Formaldehyde to Produce Methanediol and Its Implication to New Particle Formation;ACS Omega;2023-04-21

4. Benchmarking general neural network potential ANI‐2x on aerosol nucleation molecular clusters;International Journal of Quantum Chemistry;2023-01-06

5. Towards fully ab initio simulation of atmospheric aerosol nucleation;Nature Communications;2022-10-14

同舟云学术

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