Explicitly Correlated Coupled Cluster Calculations for Propadienylidene (H2CCC)
Author:
Affiliation:
1. Institut für Physikalische Chemie, Universität Göttingen, Tammannstraβe 6, D-37077 Göttingen, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp102702n
Reference34 articles.
1. Molecular orbital theory of the electronic structure of organic compounds. 28. Geometries and energies of singlet and triplet states of the C3H2 hydrocarbons
2. Electronic structure of the lowest 1A1 and 3B1 states of cyclopropenylidene
3. Toward the laboratory identification of cyclopropenylidene
4. Cyclopropenylidene
5. Vinylidene carbene: a new C3H2 species
Cited by 8 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. Explicitly correlated atomic orbital basis second order Møller–Plesset theory;The Journal of Chemical Physics;2013-02-14
2. Computational methods for contemporary carbene chemistry;Wiley Interdisciplinary Reviews: Computational Molecular Science;2012-11-15
3. Theoretical study on the reaction mechanisms between propadienylidene and R–H (R=F, OH, NH2, CH3): an alternative approach to the formation of alkyne;Structural Chemistry;2012-05-10
4. In search of the next Holy Grail of polyoxide chemistry: Explicitly correlated ab initio full quartic force fields for HOOH, HOOOH, HOOOOH, and their isotopologues;The Journal of Chemical Physics;2012-02-28
5. Explicitly Correlated Electrons in Molecules;Chemical Reviews;2011-12-29
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