Bond-Valence Parameterization for the Accurate Description of DFT Energetics
Author:
Affiliation:
1. Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States
2. Materials Science and Engineering Program, University of Colorado Boulder, Boulder, Colorado 80309, United States
Funder
Division of Chemistry
Fuel Cell Technologies Office
U.S. Department of Education
Division of Chemical, Bioengineering, Environmental, and Transport Systems
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c01113
Reference57 articles.
1. THE PRINCIPLES DETERMINING THE STRUCTURE OF COMPLEX IONIC CRYSTALS
2. Atomic Radii and Interatomic Distances in Metals
3. Bond lengths in oxygen and halogen compounds of d and f elements
Cited by 3 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. Dataset of theoretical multinary perovskite oxides;Scientific Data;2023-04-28
2. Oxygen-enriched vacancy spinel MFe2O4/carbon (M = Ni, Mn, Co) derived from metal-organic frameworks toward boosting lithium storage;Chemical Engineering Journal;2023-01
3. Blue Emission of Tetrafluorobenzocarbazole Under the Interactions of Nitrogen–oxygen Saturated hydrogen Bonds with Aggregated Proton Acid;Journal of Fluorescence;2022-12-15
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