Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
about
The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials.Effect of pristine and functionalized single- and multi-walled carbon nanotubes on CO2 separation of mixed matrix membranes based on polymers of intrinsic microporosity (PIM-1): a molecular dynamics simulation study.Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor.Spiers Memorial Lecture:. Progress and prospects of reticular chemistry.Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal-Organic Frameworks.Structural-failure resistance of metal-organic frameworks toward multiple-cycle CO2 sorption.Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.Effects of Force Field Selection on the Computational Ranking of MOFs for CO2 Separations.Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites.On flexible force fields for metal-organic frameworks: Recent developments and future prospects
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P2860
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@en
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@nl
type
label
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@en
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@nl
prefLabel
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@en
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@nl
P2860
P1476
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks.
@en
P2093
Matthew Witman
Seyed Mohamad Moosavi
P2860
P304
P356
10.1021/ACS.JPCLETT.6B02532
P577
2016-12-23T00:00:00Z