Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.448799
Reference32 articles.
1. Relativistic effects on Re and De in AgH and AuH from all‐electron Dirac–Hartree–Fock calculations
2. Relativistic and non-relativistic Hartree-Fock one-centre expansion calculations for the series CH4 to PbH4 within the spherical approximation
3. Abinitioeffective core potentials: Reduction of all‐electron molecular structure calculations to calculations involving only valence electrons
4. Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn
5. Atomic coreless Hartree–Fock pseudopotentials for atoms K through Zn
Cited by 12515 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. Unraveling the secrets of molecular and electronic structures of [Fe(CO)4(GeX)]: A DFT study;Chemical Physics Impact;2024-06
2. Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid;Journal of Molecular Structure;2024-05
3. Photocatalytic CO2 reduction by Ni-substituted polyoxometalates: Structure-activity relationships and mechanistic insights;Applied Catalysis B: Environmental;2024-05
4. Disulfo-NOPON—A new chelator for complexometric analysis and liquid-liquid extraction of stable isotopes and radionuclides of metal ions;Journal of Molecular Structure;2024-04
5. Metal–organic supramolecular architecture of oxo-bridged molybdenum(VI) complexes: Synthesis, structural elucidation and Hirshfeld surface analysis;Journal of Molecular Structure;2024-04
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