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Updated: Jun 11, 2025

A Technical Guide for Performing Spectroscopic Measurements on Metal-Organic Frameworks
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A Technical Guide for Performing Spectroscopic Measurements on Metal-Organic Frameworks

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小分子的两光子吸收强度:参考CC3值和基准

Carmelo Naim1, Robert Zaleśny2, Denis Jacquemin1,3

  • 1Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France.

Journal of chemical theory and computation
|October 7, 2024
PubMed
概括

我们使用先进的量子化学方法为小分子生成了精确的两光子过渡强度. 这一数据集对各种计算方法进行了基准测试,有助于预测未来的分子性质.

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Chemical Shift: Internal References and Solvent Effects

In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
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