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Updated: Jul 12, 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

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在场理论聚合物模拟中评估部分点近似值

Timothy Quah1, Kris T Delaney2, Glenn H Fredrickson1,2,3

  • 1Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA.

The Journal of chemical physics
|October 24, 2023
PubMed
概括

场理论模拟中的部分点近似 (PSPA) 可能不准确地预测聚合物行为,与复杂的朗格文 (CL) 方法不同. 在软物质系统中使用PSPA时建议谨慎使用.

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