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Updated: May 22, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

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印酸染料的分子内微妙之处,由多维潜在能量表面揭示出来

Allen H Chen1, Zachary J Knepp1, Christian A Guzman1

  • 1Department of Chemistry, Lehigh University, 6 E. Packer Ave., Bethlehem, Pennsylvania 18015, USA. ery317@lehigh.edu.

Physical chemistry chemical physics : PCCP
|March 12, 2025
PubMed
概括

计算研究揭示了-阿佐-英多尔染料中的R-基如何影响分子光开关的行为. 内分子相互作用延长光异构化寿命,而固体效应影响热逆转路径和染料稳定性.

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