Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite Procedures
Author:
Affiliation:
1. School of Chemistry and ARC Centre of Excellence for Free Radical Chemistry and Biotechnology, University of Sydney, Sydney, NSW 2006, Australia
2. Department of Chemistry, Indiana University, Bloomington, Indiana 47408, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct300495m
Reference44 articles.
1. Gaussian‐1 theory: A general procedure for prediction of molecular energies
2. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
3. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
4. Gaussian-4 theory
5. G n theory
Cited by 25 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. DAPD Set of Pd-Containing Diatomic Molecules: Accurate Molecular Properties and the Great Lengths to Obtain Them;Journal of Chemical Theory and Computation;2023-12-14
2. High-level ab initio composites: thermochemical bond dissociation energies for vanadium species;Molecular Physics;2023-08-23
3. Assessment of DLPNO‐CCSD (T)‐ F12 and its use for the formulation of the low‐cost and reliable L‐W1X composite method;Journal of Computational Chemistry;2022-06-16
4. Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls;The Journal of Physical Chemistry A;2021-09-29
5. Accurate Thermochemistry for Main-Group Elements up to Xenon with the Wn-P34 Series of Composite Methods;Journal of Chemical Theory and Computation;2021-08-19
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