Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies
Author:
Affiliation:
1. School of Chemistry; University of Nottingham, University Park; Nottingham NG7 2RD United Kingdom
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23433/fullpdf
Reference73 articles.
1. Nobel Lecture: Quantum chemical models
2. Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate
3. The Development of L2X2RuCHR Olefin Metathesis Catalysts: An Organometallic Success Story
4. Polyacetylenes from the Apiaceae Vegetables Carrot, Celery, Fennel, Parsley, and Parsnip and Their Cytotoxic Activities
5. Monocyanopolyynes from a carbon arc in ammonia: about the relative abundance of polyynes series formed in a carbon arc and those detected in the circumstellar shells of AGB stars
Cited by 11 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. Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water;Journal of the American Chemical Society;2023-06-05
2. Concurrent Overexpression of Rice GS1;1 and GS2 Genes to Enhance the Nitrogen Use Efficiency (NUE) in Transgenic Rice;Journal of Plant Growth Regulation;2023-04-17
3. Efficient Machine Learning Configuration Interaction for Bond Breaking Problems;The Journal of Physical Chemistry A;2023-04-16
4. Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization;The Journal of Chemical Physics;2018-03-28
5. Embedded Multireference Coupled Cluster Theory;Journal of Chemical Theory and Computation;2018-02-02
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