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Updated: Feb 5, 2026

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
07:24

Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals

Published on: April 14, 2020

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扩展紧结合方法Ln-xTB (Ln = La-Lu) 的新优化参数,以探索兰化物分子化学

Yang-Yang Zhang1

  • 1Fundamental Science Center of Rare Earths, Ganjiang Innovation Academy, Chinese Academy of Sciences, Ganzhou, China.

Journal of computational chemistry
|February 3, 2026
PubMed
概括

我们使用遗传算法 (GA) 和相对论汉密尔顿式开发了一种准确和高效的延长紧结合 (Ln-xTB) 方法. 这种新方法以高精度和速度优化了兰化物分子化学,优于以前的模型.

关键词:
在Ln-xTB中.遗传算法是一种遗传算法.兰他化物 兰他化物优化的优化优化优化.紧密结合的紧密结合

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