شماره ركورد كنفرانس :
3834
عنوان مقاله :
THE STUDY OF PSEUDO JAHN-TELLER EFFECT ON THE DEFORMATION OF ML2 MOLECULES STRUCTURAL
پديدآورندگان :
Esmaeili Ali esmaeili.ali42031@gmail.com Department of Chemistry, Education,Mahallat,Iran;
كليدواژه :
Pseudo Jahn , Teller effect , TD , DFT , high , symmetry configuration
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
It is shown that the Pseudo Jahn-Teller effect (PJTE) in combinations with DFT calculations explains the origin of instability of the linear configuration of ML2(O3, SO2, SeO2 and TeO2).
