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Theoretical analysis of nitrosourea adsorption on Ag₆ nanocluster: Implications for enhanced biosensing performance

This study investigates the interaction between Ag₆ clusters and the anticancer drug nitrosourea (Nu) using density functional theory (DFT) at the B3LYP hybrid functional level in both gas and aqueous phases. The Lanl2DZ basis set was employed for the silver atoms within Ag₆ owing to its reliability...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
Principais autores: Fatemeh Shams, Sharieh Hosseini, Kambiz Larijani, Marjan Jebeli Javan, Sepideh Ketabi
פורמט: Artigo
שפה:Inglês
יצא לאור: Elsevier 2026-05-01
סדרה:Results in Chemistry
נושאים:
גישה מקוונת:http://www.sciencedirect.com/science/article/pii/S2211715626001219
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