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Updated: Jun 11, 2025

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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在phenazine,2-hydroxynaphthalene (1:1) 共同晶体中对结合相互作用的理性分析:从分子建模到光物理性质

T Sundareswaran1,2, R Jagan3, N Karthikeyan4

  • 1Department of Science and Humanities, R.M.K. College of Engineering and Technology, Puduvoyal, Tamil Nadu, 601206, India. sundareswaran@rmkcet.ac.in.

Journal of molecular modeling
|September 27, 2024
PubMed
概括

一个新的phenazine 2-hydroxynaphthalene共晶体表现出有希望的非线性光学特性. 结构分析和理论计算证实了其作为光学应用的非线性光学材料的潜力.

关键词:
在Cocrystal中使用.在 DFT 方面,它是最重要的.气键是一种气键.非线性光学是非线性的.采用Z扫描进行扫描.π...π 堆积 在堆积.

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