Open access
Sep 2026
Decoding Stability and Selectivity in Unnatural DNA Base Pairs with Spatially Separated Recognition Interfaces
A quantum chemical investigation of alkynylated purine–pyridazine UBPs is presented, combining Kohn–Sham molecular orbital and energy decomposition analyses to characterize both base-pairing and π–π stacking interactions.
A. Bermejo, J. Bofill, Jordi Poater
· Journal of Organic Chemistry · 0 citations