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Updated: Sep 14, 2025

Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures
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Author Spotlight: Unveiling the Potential of VSFG Microscopy in Studying Mesoscopically Heterogeneous Self-Assembled Structures

Published on: December 1, 2023

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分子構造と振動スペクトルの間の双方向翻訳のためのディープラーニング

Tianqing Hu1,2, Zihan Zou1, Bo Li2

  • 1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China.

Journal of the American Chemical Society
|July 23, 2025
PubMed
まとめ

ディープラーニングモデルであるTranSpecとSpecGNNは 分子スペクトルを構造に変換します 改良により,スペクトルデータからの機能群と同位体解釈の精度が向上した.

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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
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