Synthesis, crystal structure, EPR spectroscopy, and DFT studies of a mononuclear oxovanadium(IV) Schiff base complex with antioxidant activity
Published: 22 September 2026| Version 1 | DOI: 10.17632/d8gfjytfpt.1
Contributors:
Arockiasamy Sebastian, Description
CheckCIF file and DFT studies output data files
Files
Steps to reproduce
The data contains a crystallography CheckCIF file obtained from CCDC after depositing the single crystal. The second and third files are DFT analysis output files of the oxovanadium(IV) complex obtained after the analysis using Gaussian software.
Institutions
- Vellore Institute of Technology UniversityTamil Nadu, Vellore
Categories
Single Crystal, DFT Method Application