期刊论文详细信息
HighTech and Innovation Journal | |
Spin-Orbit Coupling Effect on the Electrophilicity Index, Chemical Potential, Hardness and Softness of Neutral Gold Clusters: A Relativistic Ab-initio Study | |
Mahnaz Jabbarzadeh Sani1  | |
[1] Department of Chemistry, College of Science, Shiraz University, Shiraz,; | |
关键词: density functional theory; douglas-kroll-hess; electronic properties; gold clusters; spin-orbit coupling.; | |
DOI : 10.28991/HIJ-2021-02-01-05 | |
来源: DOAJ |
【 摘 要 】
Electrophilicity index (
【 授权许可】
Unknown