Supplemental basis functions for the second transition row elements
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.446183
Reference10 articles.
1. GTO basis sets for heavier elements
2. Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms
3. Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition‐metal atoms
4. General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
5. Small Gaussian Expansions of Slater‐Type Orbitals
Cited by 47 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. Detailed Density Functional Theory Study of the Cationic Zirconocene Compound [Cp(C5H4CMe2C6H4F)ZrMe]+;ACS Omega;2022-09-22
2. Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors;Journal of the American Chemical Society;2010-12-03
3. Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements;Theoretical Chemistry Accounts;2005-08-12
4. Valence and correlating basis sets for the second transition-metal atoms from Y to Cd;Molecular Physics;2003-01-10
5. The use of the generator coordinate method for designing basis set. Application to oxo-diperoxo molybdenum complexes;Journal of Molecular Structure: THEOCHEM;2002-08
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