Comprehensive theoretical and experimental analyses of 5-Bromo-2-Hydroxybenzaldehyde: insights into molecular stability and drug design

Comprehensive theoretical and experimental analyses of 5-Bromo-2-Hydroxybenzaldehyde: insights into molecular stability and drug design

Abstract 5-Bromo-2-Hydroxybenzaldehyde or 5-Bromosalicylaldehyde has been thoroughly scrutinized both experimentally and theoretically. To perform its theoretical calculations, we have used the DFT (Density Function Theory) approach and the most suitable basis set 6-311 + + G(d, p) was implied for i...

Full description

Saved in:
Bibliographic Details
Main Authors: Mohammad Shaheer, Naveen Garg, Ana Aftab, Himanshu, Iram Jan, Shakeel Alvi, Akhilesh Kumar, Nazia Siddiqui, Saleem Javed, P. Divya, Mudassar Shahid
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Chemistry
Subjects:
Spectroscopy
Molecular docking
Molecular dynamics simulations
RDF
NBO
Online Access:https://doi.org/10.1186/s13065-025-01562-7
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://doi.org/10.1186/s13065-025-01562-7

Similar Items