DFT simulation of S1, S3 and S4

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posted on 2025-04-07, 22:28 authored by Manmohan DashManmohan Dash

The HOMO and LUMO information is extracted by running the DFT simulation.

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Condensed matter modelling and density functional theory

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carbazole tri-phosphineoxide TPA and Diphenylphosphineoxide DFT simulation

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