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Updated: Jan 17, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
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Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals

Published on: May 29, 2018

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在溶液和晶体阶段使用机器学习模拟循环甲基基的非辐射衰变

Li Wang1, Jingbai Li1

  • 1Hoffmann Institute of Advanced Materials, Shenzhen Polytechnic University, Shenzhen, Guangdong 518055, People's Republic of China.

Journal of chemical theory and computation
|September 25, 2025
PubMed
概括

机器学习加速了分子聚合物的兴奋状态计算. 这种方法揭示了结合扭力如何控制循环中聚合诱导的排放,增强晶体中的光.

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Stability of Substituted Cyclohexanes02:30

Stability of Substituted Cyclohexanes

This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
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