Spin-Orbit Coupling Effect on the Electrophilicity Index, Chemical Potential, Hardness and Softness of Neutral Gold Clusters: A Relativistic Ab-initio Study

HighTech and Innovation Journal

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