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Updated: Jan 8, 2026

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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在氨基酸离子液体中捕获极化效应.

Sijia Chen1, Chunyu Yang1, Jiangbo Wu1

  • 1Department of Chemistry, Chicago Center for Theoretical Chemistry, The James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.

The journal of physical chemistry. B
|December 16, 2025
PubMed
概括

使用德鲁德振荡器的极化力场准确地模拟了氨基酸离子液体 (AAIL). 这揭示了关键的极化和结合效应,推进了绿色化学模拟.

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