Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations
about
Application of computational methods to the design and characterisation of porous molecular materials.Structural, energetic, and dynamic insights into the abnormal xylene separation behavior of hierarchical porous crystal.Highly selective CO2vs. N2 adsorption in the cavity of a molecular coordination cage.Shape-Persistent [4+4] Imine Cages with a Truncated Tetrahedral Geometry.Understanding static, dynamic and cooperative porosity in molecular materials
P2860
Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations
description
article
@en
im Juni 2014 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 2014
@uk
name
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@en
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@nl
type
label
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@en
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@nl
prefLabel
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@en
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@nl
P2093
P356
P1476
Gas Diffusion in a Porous Orga ...... Molecular Dynamics Simulations
@en
P2093
Abbie Trewin
Andrew I. Cooper
Daniel Holden
David J. Willock
Kim E. Jelfs
P304
12734-12743
P356
10.1021/JP500293S
P577
2014-06-09T00:00:00Z