Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects
Author:
Affiliation:
1. Department of Chemistry, Stanford University, Stanford, California 94305, United States
Funder
National Science Foundation
Research Corporation for Science Advancement
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b00391
Reference64 articles.
1. Probing the structural and dynamical properties of liquid water with models including non-local electron correlation
2. Ab initio Electronic Structure of Liquid Water
3. Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
4. Unraveling quantum mechanical effects in water using isotopic fractionation
5. The formulation of quantum statistical mechanics based on the Feynman path centroid density. V. Quantum instantaneous normal mode theory of liquids
Cited by 161 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. Origin of dielectric polarization suppression in confined water from first principles;Chemical Science;2024
2. Predicting the Raman Spectra of Liquid Water with a Monomer-Field Model;The Journal of Physical Chemistry Letters;2023-12-20
3. Modeling nuclear quantum effects on long-range electrostatics in nonuniform fluids;The Journal of Chemical Physics;2023-12-15
4. Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods;Journal of Chemical Theory and Computation;2023-12-14
5. Thermodynamics of Water and Ice from a Fast and Scalable First-Principles Neuroevolution Potential;Journal of Chemical & Engineering Data;2023-12-11
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