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First principles investigations of a "quasi-one-dimensional" charge-transfer ...
International audience -
Novel 1,2,4-thiadiazole derivatives: Crystal structure, conformational analys...
The results of X-ray crystallographic and computational studies of twelve 1,2,4-thiadiazole derivatives are reported. The effect of orientation of different parts of... -
Development of new hybrid methods in density functional theory by linear sepa...
This thesis draws together methodological contributions to the hybrid methods in density functional theory (DFT). The combination of DFT and several wave function...
