Ab Initio Potential for H3O+ → H+ + H2O: A Step to a Many-Body Representation of the Hydrated Proton?
Author:
Affiliation:
1. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00765
Reference56 articles.
1. Detection of the Hydronium Ion (H3O+) by High-Resolution Infrared Spectroscopy
2. Experimental Determination of the Ground-State Inversion Splitting inH3O+
3. Infrared spectrum of the ν2 vibration‐inversion band of H3O+
4. A study of the structure and dynamics of the hydronium ion by high resolution infrared laser spectroscopy. II. The ν4 perpendicular bending mode of H3 16O+
5. Infrared spectra of the solvated hydronium ion: Vibrational predissociation spectroscopy of mass-selected H3O+.cntdot.(H2O)n.cntdot.(H2)m
Cited by 30 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. Structure sensitivity of the electrochemical hydrogenation of cis,cis-muconic acid to hexenedioic acid and adipic acid;Green Chemistry;2024
2. Neural network Gaussian processes as efficient models of potential energy surfaces for polyatomic molecules;Machine Learning: Science and Technology;2023-11-10
3. MBX: A many-body energy and force calculator for data-driven many-body simulations;The Journal of Chemical Physics;2023-08-01
4. Exact tunneling splittings from symmetrized path integrals;The Journal of Chemical Physics;2023-07-19
5. Δ-Machine Learned Potential Energy Surfaces and Force Fields;Journal of Chemical Theory and Computation;2022-12-17
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