Development of density functionals for thermochemical kinetics
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1774975
Reference94 articles.
1. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
2. Accurate and simple analytic representation of the electron-gas correlation energy
3. Density-functional exchange-energy approximation with correct asymptotic behavior
4. Density-functional approximation for the correlation energy of the inhomogeneous electron gas
5. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
Cited by 1355 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. Diffusion Monte Carlo method for barrier heights of multiple proton exchanges and complexation energies in small water, ammonia, and hydrogen fluoride clusters;The Journal of Chemical Physics;2024-02-02
2. TD‐DFT analysis of the excitation of H‐dimers of cationic dyes in an aqueous solution using functionals without additional dispersion correction;International Journal of Quantum Chemistry;2024-02-02
3. Gas‐Phase Electronic Structure of Phthalocyanine Ions: A Study of Symmetry and Solvation Effects;Advanced Science;2024-01-15
4. On the sensitivity of computed partial charges toward basis set and (exchange‐)correlation treatment;Journal of Computational Chemistry;2024-01-12
5. Paramagnetic Nuclear Magnetic Resonance Shifts for Triplet Systems and Beyond with Modern Relativistic Density Functional Methods;The Journal of Physical Chemistry A;2024-01-09
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