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...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Elsevier
2023-12-01
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Series: | Chemical Physics Impact |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022423001238 |