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Publication Date
2023
Document Type
Poster
Degree Type
Graduate
Department
Chemistry
Mentor
Bhaskar Chilukuri
Mentor Department
Chemistry
Abstract
Porphyrin systems have received increased attention related to their intrinsic electronic, magnetic and spectroscopic characteristics Theoretical and computational investigations best complement the experimental approaches analyzing these molecular properties Quantum mechanical density functional theory ( calculations help understanding characteristic features including orbital configuration, electronic nature and stability In this work we investigate select porphyrin systems via quantum mechanical calculations of molecular properties at the DFT level.
Recommended Citation
Suthaharan, Sivanujan, "Computational Molecular-level Study of Porphyrin Systems" (2023). University Research Symposium. 416.
https://ir.library.illinoisstate.edu/rsp_urs/416