Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

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Lighting the Future: The Molecular Dance of Thiophene and Oxadiazole in OLEDs

Explore how thiophene and 1,3,4-oxadiazole molecules work together in OLED technology, with insights from DFT and TD-DFT computational methods.

Jaxon Cox
Nov 04, 2025

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