The Becke Fuzzy Cells Integration Scheme in the Amsterdam Density Functional Program Suite
Author:
Affiliation:
1. Theoretical Chemistry; Vrije Universiteit; De Boelelaan 1083 NL-1081 HV Amsterdam The Netherlands
2. Scientific Computing & Modelling NV; Theoretical Chemistry, Vrije Universiteit; De Boelelaan 1083 NL-1081 HV Amsterdam The Netherlands
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23323/fullpdf
Reference34 articles.
1. Numerical integration for polyatomic systems
2. A multicenter numerical integration scheme for polyatomic molecules
3. Chemistry with ADF
4. Precise density-functional method for periodic structures
5. Three-dimensional numerical integration for electronic structure calculations
Cited by 229 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. A comparative DFT study of borophene as a promising drug delivery vehicle for carmustine and nitrosourea anti-cancer drugs;Chemical Physics Letters;2024-12
2. Computational exploring the potential of pure and Ag-decorated WTe2 for detecting volatile organic compounds (VOCs);Materials Science in Semiconductor Processing;2024-11
3. Computational investigation of pure antimonene and antimonene/bismuthene heterostructure for detecting thermal runaway gases;Sensors and Actuators A: Physical;2024-10
4. “Hydridic Hydrogen-Bond Donors” Are Not Hydrogen-Bond Donors;Journal of the American Chemical Society;2024-09-03
5. Computational analysis of TiC3 as a high-efficiency anode for calcium-ion batteries;Journal of Energy Storage;2024-09
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