Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study

Dae-Hwan Ahn, Chiyoung Park, Jong-Won Song. Predicting whether aromatic molecules would prefer to enter a carbon nanotube: A density functional theory study. Journal of Computational Chemistry, 41(13):1261-1270, 2020. [doi]

Abstract

Abstract is missing.