Development and Assessment of a New Hybrid Density Functional Model for Thermochemical Kinetics
Author:
Affiliation:
1. Department of Chemistry and Supercomputing Institute,University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp049908s
Reference59 articles.
1. Density‐functional thermochemistry. III. The role of exact exchange
2. Density‐functional thermochemistry. IV. A new dynamical correlation functional and implications for exact‐exchange mixing
3. Generalized Gradient Approximation Made Simple
4. Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals
5. Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models
Cited by 636 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. From the single‐structure to the multipath approaches: The reactions of the 2‐pentanone with H radical;International Journal of Quantum Chemistry;2024-01-12
2. Developing correlation-consistent numeric atom-centered orbital basis sets for krypton: Applications in RPA-based correlated calculations;The Journal of Chemical Physics;2024-01-09
3. Benchmarking Modern Density Functionals for Broad Applications in Chemistry;Comprehensive Computational Chemistry;2024
4. Improving XYG3-type doubly hybrid approximation using self-interaction corrected SCAN density and orbitals via the PZ-SIC framework: The xDH@SCAN(SIC) approach;The Journal of Chemical Physics;2023-12-15
5. Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides;Angewandte Chemie International Edition;2023-08-24
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