تصفح GPC Research حسب الموضوع "Ligands,"
السجلات المعروضة 1 -- 1 من 1
-
Optimized long-range corrected density functionals for electronic and optical properties of bare and ligated CdSe quantum dots
( American Chemical Society , 2017 , Article)The reliable prediction of optical and fundamental gaps of finite size systems using density functional theory requires to account for the potential self-interaction error, which is notorious for degrading the description ...