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RotGT-2023:一个旋转g张量器的基准数据集

Yury V Vishnevskiy1

  • 1Lehrstuhl für Anorganische Chemie und Strukturchemie, Universität Bielefeld, Universitätsstrasse 25, 33615 Bielefeld, Germany.

The Journal of chemical physics
|October 25, 2023
PubMed
概括

一个新的数据集,RotGT-2023,为129个分子提供了经过统计验证的实验旋转g张量组件和振动校正. 这个资源有助于预测旋转的泽曼效应,并改进分子结构.

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