Quantum Transport in DNA Modulated by A Schiff Base Ligand: The Role of Binding and Electronic Structure Changes from DFT–NEGF–MD Simulations
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Dergi Başlığı
Dergi ISSN
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Yayıncı
Elsevier Inc.
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
[Not Abstract Available]
Açıklama
Anahtar Kelimeler
DFT–NEGF, DNA charge transport, Energy–independent decoherence, HOMO–LUMO alignment, Molecular dynamics, Schiff base ligand
Kaynak
Journal of Molecular Graphics and Modelling
WoS Q Değeri
Scopus Q Değeri
Cilt
143
Sayı
Künye
Karakurt, T., Cukurovali, A., Mohammad, H., & Yilmaz, I. (2025). Quantum Transport in DNA Modulated by a Schiff Base Ligand: The Role of Binding and Electronic Structure Changes from DFT–NEGF–MD Simulations. Journal of Molecular Graphics and Modelling, 109263.
