Non-covalent interactions in small thiophene clusters
A Malloum, J Conradie - Journal of Molecular Liquids, 2022 - Elsevier
Theoretical understanding of the thiophene solvent is subjected to the knowledge of the
structures and the interactions taking place in thiophene clusters. Despite the importance of …
structures and the interactions taking place in thiophene clusters. Despite the importance of …
Calculation of charge-transfer electronic coupling with nonempirically tuned range-separated density functional
H Kitoh-Nishioka, K Ando - The Journal of Physical Chemistry C, 2019 - ACS Publications
Computation of charge-transfer coupling energy with a nonempirically tuned range-
separated density functional is examined. The results are assessed by comparing with the …
separated density functional is examined. The results are assessed by comparing with the …