Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters?
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.2363383
Reference107 articles.
1. The Water Trimer
2. Geometry optimization of a water molecule in water. A combined quantum chemical and statistical mechanical treatment
3. Improved estimates of the total correlation energy in the ground state of the water molecule
4. Molecular geometry and vibrational frequency predictions from the CISD[TQ] wavefunction: the water molecule
5. Calculation and fitting of potential energy and dipole moment surfaces for the water molecule: Fully ab initio determination of vibrational transition energies and band intensities
Cited by 21 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. The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22 : Ab initio, DFT, and semiclassical MNDO‐MD simulations;Journal of Computational Chemistry;2022-11-29
2. Noble‐Noble Strong Union: Gold at Its Best to Make a Bond with a Noble Gas Atom;ChemistryOpen;2019-01-29
3. α-Cyclodextrin: How Effectively Can Its Hydrophobic Cavity Be Hydrated?;The Journal of Physical Chemistry B;2017-09-26
4. The Armstrong experiment revisited;The European Physical Journal Special Topics;2013-08-08
5. Physical properties of small water clusters in low and moderate electric fields;The Journal of Chemical Physics;2011-09-28
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