Quantum Chemical Exploration of A-π1-D1-π2-D2-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear Optical Properties.

ACS Omega · 2023 · PMC10308399 · PMID 37396273

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closest p

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slightly significantno p-value reported

The maximum values of slightly significant transition LP → π * occur as 77.17, 77.16, 77.22, and 77.23 kcal mol –1 of LP(N40) → π*(C41–S43), LP(N40) → π*(C41–S43), LP(N40) → π*(C41–S43), and LP(N40) → π*(C41–S43) for DBTD3 – DBTD6 , accordingly ( Tables S23–S29 ).

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Quantum Chemical Exploration of A-π<sub>1</sub>-D<sub>1</sub>-π<sub>2</sub>-D<sub>2</sub>-Type Compounds for the Exploration of Chemical Reactivity, Optoelectronic, and Third-order Nonlinear Optical Properties.

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