DFT study reveals changes in molecular conformation and electronic structure of cyclo[18]carbon under external electric field, suggesting implications for reactivity and spectroscopy.
This investigation explores the impact of an external electric field (EEF) in the normal-direction on cyclo[18]carbon, scrutinizing changes in molecular conformation, electronic structure, reactivity, and spectroscopic properties. Utilizing Gaussian16 and...
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Wang et al. (2025) studied this question.
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