A DFT + Umol model study of the self-interaction error in standard density functional calculations of Ni(CO) m (m = 1

登录注册会员服务联系我们

A DFT + Umol model study of the self-interaction error in standard density functional calculations of Ni(CO) m (m = 1–4)

Published:2014-08-21 Issue:10 Volume:133 Page:
ISSN:1432-881X
Container-title:Theoretical Chemistry Accounts
language:en
Short-container-title:Theor Chem Acc

Author:

Soini Thomas M.,Rösch Notker

Publisher

Springer Science and Business Media LLC

Subject

Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1007/s00214-014-1561-y.pdf

Reference60 articles.

1. Dyson PJ, McIndoe JS (2000) Transition metal carbonyl cluster chemistry, vol 2. Advanced chemistry texts. OPA, Amsterdam

2. Elschenbroich C (2006) Organometallics. Wiley VCH, Weinheim

3. Macchia P, Sironi A (2003) Coord Chem Rev 238–239:383–412

4. Mond L, Langer C, Quincke F (1890) J Chem Soc Trans 57:749–753

5. Blomberg M, Brandemark U, Siegbahn P, Wennerberg J, Bauschlicher CW Jr (1988) J Am Chem Soc 110:6650–6655

Cited by 2 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. Fermi–Löwdin orbital self-interaction correction of adsorption energies on transition metal ions;The Journal of Chemical Physics;2022-04-07

2. Size-dependent properties of transition metal clusters: from molecules to crystals and surfaces – computational studies with the program ParaGauss;Physical Chemistry Chemical Physics;2015

同舟云学术

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