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Pressure dependence of MSD in deeply cooled confined water: a new wayof testi...

B2FIND2026-04-11 收录

液-液相变验证

受限水分子动力学

数据链接：

https://b2find.eudat.eu/dataset/132b8a97-0fad-58ec-af38-d8b6692ac735 数据链接链接失效反馈

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资源简介：

Aim of this proposal is to verify the Liquid-Liquid Transition hypothesis in deeply cooled confined water. The LLT hypothesis has been recently proposed in the literature and...

应用场景：

纳米流体

受限水分子动力学

Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network pote

DataCite Commons2026-03-12 更新60

Distinct Dynamic Behaviors of Water Molecules in Hydrated Pores

受限水分子动力学

水分子氢键行为

Water molecules confined inside narrow pores are of great importance in understanding the structure, stability, and function of water channels. Here we report that besides the H-bonding water that str

NIAID Data Ecosystem50

Anomalous Dielectric Behavior and Thermal Motion of Water Molecules Confined in Channels of Porous Coordination Polymer Crystals

多孔配位聚合物介电性质

受限水分子动力学

Guest water molecules confined in channels of porous coordination polymer crystals [Ln2Cu3(IDA)6]·nH2O (Ln = La, Nd, Sm, Gd, Ho, Er; IDA = [NH(CH2COO)2]2−; n ≈ 9) exhibited large dielectric constants

NIAID Data Ecosystem20

Dataset: Water Molecules Confined in Cryptophane Nanocages: Structures and Dynamics Driven by Hydrogen Bonding and Water Chains

受限水分子动力学

纳米笼分子模拟

trj.tar.gz: All MD trajectories. xcontrol.txt: Typical xtb input file for the MD simulations. DOI: 10.1021/acs.jpcb.4c00018

DataCite Commons2025-02-18 更新60

Combining Molecular Dynamics Simulations with QENS to improve the current water models for understand the dynamics of water molecules in NaX

受限水分子动力学

分子模拟与中子散射

The structure and dynamics of water molecules in the presence of non-trivial confinement in porous systems has always created a lot of interest, both from an experimental and theoretical point of view

DataCite Commons2020-07-30 更新20

Pressure dependence of MSD in deeply cooled confined water: a new wayof testi...

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