DFT Study of Microsolvated [NO3·(H2O)n]− (n = 1–12) Clusters and Molecular Dynamics Simulation of Nitrate Solution
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States
2. Department of Computer Science, Utah State University, 0300 Old Main Hill, Logan, Utah 84322-0300, United States
Funder
Stephen Bialkowski Award in Environmental Chemistry fund
R. Gaurth Hansen Professorship fund
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c07206
Reference57 articles.
1. Gaseous ammonia fluxes and background concentrations in terrestrial ecosystems of the United States
2. Nitrate-Cancrinite Precipitation on Quartz Sand in Simulated Hanford Tank Solutions
3. Caustic recovery from alkaline nuclear waste by an electrochemical separation process
4. International Energy Agency. www.iea.org/data-and-statistics (accessed August 5, 2021).
Cited by 8 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. Intermolecular hydrogen bond interactions in water clusters of zwitterionic glycine: DFT, MESP, AIM, RDG, and molecular dynamics analysis;Journal of Molecular Liquids;2024-02
2. Dissociation of HNO3 in water revisited: experiment and theory;Physical Chemistry Chemical Physics;2024
3. Novel Computational Chemistry Infrastructure for Simulating Astatide in Water: From Basis Sets to Force Fields Using Particle Swarm Optimization;Journal of Chemical Theory and Computation;2023-11-02
4. Theoretical insights into the structure, stability, thermochemistry, and bonding in hydrated N2O clusters;2023-10-12
5. Asymmetry of the Electrostatic Environment as the Origin of the Symmetry Breaking Effect of the Nitrate Ion in Aqueous Solution;The Journal of Physical Chemistry B;2023-07-18
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