Please Give one Reference paper on METAL COMPLEX CHELATINMO LUMO GAP ANALYSIS NBO ANALYSIS ABD SOLVATION STUDIES DOBE BY ORCA SOFTWARE ?

Manohar Srinivas Naik R @Manohar-Srinivas-Naik-R

28 April 2025 1 8K Report

I need a standard reference research paper for Metal complex chelating studies bt DFT STUDIES, I need perticularly how to interpret the IR spectra and CPCM WATER cosmo calicuation and NBO ANALYSIS visualtion and how to know perticularly the bond types and bond angles

Abdelatif Messaoudi

Dear Prof Manohar

Cite this article

Ahmed, M., Sudhanshu, Malhotra, S.S. et al. Structures, bonding aspects and spectroscopic parameters of morin, myricetin, and quercetin with copper/zinc complexes: DFT and TDDFT exploration. J Mol Model 31, 75 (2025). https://doi.org/10.1007/s00894-025-06296-w

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