Exploration of piperidine-2-carbaldehyde by spectroscopic, topology analysis, molecular docking, and molecular dynamic simulation with solvents effect – A DFT and TD-DFT approach

Exploration of piperidine-2-carbaldehyde by spectroscopic, topology analysis, molecular docking, and molecular dynamic simulation with solvents effect – A DFT and TD-DFT approach

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Bibliographic Details
Published in:Journal of molecular liquids Vol. 417; p. 126560
Main Authors: Joseph, Deepthi, Katta, Pradeep, Rajesh, R., Saravana Kumar, G.
Format: Journal Article
Language:English
Published: 01-01-2025
Online Access:Get full text
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Description
ISSN:0167-7322
DOI:10.1016/j.molliq.2024.126560