QCxMS prediction of alkyl halides comparison of GFN1-xTB and GFN2-xTB
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下载链接：
https://zenodo.org/record/10839046
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资源简介：
Exported Galaxy history containing spectral matching results to compare QCxMS predictions of alkyl halides using GFN1-xTB and GFN2-xTB against their high resolution experimental spectra.
创建时间：
2024-03-20
