From molecules to solids with the DMol3 approach
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1316015
Reference33 articles.
1. An all‐electron numerical method for solving the local density functional for polyatomic molecules
2. Fast Calculation of Electrostatics in Crystals and Large Molecules
3. Binding energy and electronic structure of small copper particles
4. Simplified method for calculating the energy of weakly interacting fragments
5. Incorporation of solvent effects into density functional calculations of molecular energies and geometries
Cited by 9770 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. Constructing the electrostatic potential microenvironment in MMMs by poly(ionic liquid)s functionalized metal–organic frameworks for efficient CO2/CH4 separation;Separation and Purification Technology;2025-02
2. High throughput MN4-G screening electrocatalyst for highly selective acetylene semi-hydrogenation;Separation and Purification Technology;2025-02
3. Charge transfer regulates electrocatalytic CO2 reduction on one-dimensional carbon nanotube/boron nitride nanotube heterostructures;Separation and Purification Technology;2025-02
4. Highly-efficient hydrogen purification with the T-C3N2 membrane via strain and charge engineering as well as their synergistic effect;Separation and Purification Technology;2025-02
5. Superior electro-catalytic performance achieved by the negatively charged boron atom on BC3/TM/graphene sandwich heterostructures;Journal of Materials Science & Technology;2025-02
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