Structural, chemical reactivity, topological, electronic and spectroscopic (Raman, SERS and UV-Vis) and antiviral investigation of Furo [3,2-c] pyridine-2-carbaldehyde

Structural, chemical reactivity, topological, electronic and spectroscopic (Raman, SERS and UV-Vis) and antiviral investigation of Furo [3,2-c] pyridine-2-carbaldehyde

The current work is concerned with the theoretical discernment of adsorption processes between the Furo [3,2-c] pyridine-2-carbaldehyde and bimetallic clusters (Cu-Ag, Cu-Au and Cu-Ni). The ESP maps are used to detect the existence of reactive sites in the molecule. The HOMO/LUMO energy differential...

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Bibliographic Details
Main Authors: Sravanthi R, S Mahalakshmi, V Vetrivelan, S Sakthivel, S Kumaran, S Muthu
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
DFT
Adsorption
Molecular dynamics
SERS
Pharmacological
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001238

Internet

http://www.sciencedirect.com/science/article/pii/S2667022423001238

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