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Updated: Sep 17, 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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Published on: January 25, 2020

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在化学空间中分子液体中的核量子效应

Baris E Ugur1, Michael A Webb2

  • 1Department of Chemical and Biological Engineering, Princeton University Princeton, Princeton, NJ, USA.

Nature communications
|July 1, 2025
PubMed
概括

核量子效应 (NQE) 显著影响有机液体的热物理性质,改变多达5%的摩尔体积. 这些量子效应可以通过摩尔质量,密度和热膨胀率来预测.

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