Published March 8, 2025 | Version v1
Journal article Open

Computational and Molecular Docking Analysis of a Novel Azo Compound and Its Nanocomposite Biopolymer Synthesized via a Single-Pot Method

Authors/Creators

  • 1. ROR icon Al-Furat Al-Awsat Technical University
  • 2. ROR icon Al-Mustaqbal University

Contributors

  • 1. ROR icon Al-Mustaqbal University

Description

his dataset contains DFT calculations (Gaussian 09), molecular docking results, and nanocomposite characterization data used in the manuscript titled 'Synthesis, Characterization, and Computational Analysis of an Azo Dye-Based Nanocomposite' submitted to [Journal Name]. The dataset includes input/output files for Gaussian 09, molecular docking complexes, and experimental characterization data for transparency and reproducibility."

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Additional details

Related works

Is documented by
Journal article: 10.1002/aoc.5800. (DOI)

Dates

Submitted
2025-03-08