Dipole moments of conjugated donor–acceptor substituted systems: calculations vs. experiments - Archive ouverte HAL
Journal Articles RSC Advances Year : 2021

Dipole moments of conjugated donor–acceptor substituted systems: calculations vs. experiments

Abstract

B3LYP functional can reproduce the experimental dipole moments of conjugated organic molecules with high accuracy.

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Chemical Sciences
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https://hal.science/hal-03426413

Submitted on : Monday, November 15, 2021-3:18:32 PM

Last modification on : Sunday, January 14, 2024-11:56:04 AM

Long-term archiving on : Wednesday, February 16, 2022-8:54:20 PM

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hal-03426413 , version 1 (15-11-2021)

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Vladimir Lokshin, Mark Sigalov, Nina Larina, Vladimir Khodorkovsky. Dipole moments of conjugated donor–acceptor substituted systems: calculations vs. experiments. RSC Advances, 2021, 11 (2), pp.934-945. ⟨10.1039/d0ra10182f⟩. ⟨hal-03426413⟩

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