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Updated: Jan 11, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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结构偏好和14组元素的异质密度二甲酸盐中的多重结合相互作用 - 一项理论研究

Brindha Veerappan1, Krishnamoorthy Bellie Sundaram1

  • 1Department of Chemistry (SF), PSG College of Arts and Science, Coimbatore, Tamil Nadu, 641014, India.

Journal of molecular graphics & modelling
|November 10, 2025
PubMed
概括

密度函数理论 (DFT) 调查了14组异密度二甲酸盐,揭示了稳定的二维结构,并预测了各种应用的NMR化学转移.

关键词:
DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3 DFT-D3第十四组 - - 第十四组斯坦纳-克洛索-多德卡酸盐[{EB{11}H{11}) }{2}{2}-) 这是一个非常好的方法.[EB{11}H{11}]{2}-) 这是一个很好的方法.

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