Journal of molecular modeling
New sensors based on DNA base pairs: DFT, QTAIM, and NCI-RDG study.
Mona Boudiaf, Nour Elyakine Amraoui, Henry Chermette
Published: 202510.1007/s00894-025-06544-z
Abstract
CONTEXT: Toxic agents in the environment represent a serious threat to human life and pose a major problem, which has led scientists to conduct continuous research into methods for detecting and removing them from the environment. For example, H₂S, S…
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