Exploration of Nonlinear Optical Properties for the First Theoretical Framework of Non-Fullerene DTS(FBTTh<sub>2</sub>)<sub>2</sub>-Based Derivatives.

ACS Omega · 2022 · PMC9161415 · PMID 35664583

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Electronic Structure The study of frontier molecular orbitals (FMOs) is extremely significant for an understanding of the optical and electric characteristics of species, and it is also utilized to investigate their chemical stability. 44 − 46 The highest occupied molecular orbitals are referred to as HOMOs, while the lowest unoccupied molecular orbitals are referred to as LUMOs, which are

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