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Updated: Jun 12, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K

阿尔干乙醇的TAMie力场:处理稀缺实验数据的多忠度高斯过程

Maximilian Fleck1, Samir Darouich1, Niels Hansen1

  • 1Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, Stuttgart 70569, Germany.

The journal of physical chemistry. B
|September 18, 2024
PubMed
概括

这项研究增强了乙醇可转移的异构性Mie潜力 (TAMie). 新模型准确地预测了乙醇及其混合物的液体密度,蒸汽压力和相位行为.

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Ensemble Force Spectroscopy by Shear Forces07:30

Ensemble Force Spectroscopy by Shear Forces

Published on: July 26, 2022

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Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

Published on: September 1, 2023

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Atomic Absorption Spectroscopy: Atomization Methods

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¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

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