Molecular simulation of zeolite flexibility-Reference-Cited by-同舟云学术

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Molecular simulation of zeolite flexibility

Published:2013-12-24 Issue:1-3 Volume:40 Page:6-15
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Jeffroy Marie¹²,Nieto-Draghi Carlos²,Boutin Anne³

Affiliation:

1. IFP Energies Nouvelles, 1 et 4, Avenue de Bois-Préau, 92852, Rueil-Malmaison, France

2. Laboratoire de Chimie Physique, Université Paris Sud XI, Bâtiment 349, Orsay Cedex, France

3. Département de Chimie, CNRS-ENS-UPMC, UMR 8640, École Normale Supérieure, 24 rue Lhomond, 75005, Paris, France

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2013.840898

Reference62 articles.

1. BaerlocherC, MeierWM, OlsonDH. Atlas of zeolite framework types. London: Elsevier Science; 2001.

2. Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks

3. A comment on the flexibility of framework in molecular dynamics simulations of zeolites

4. In-Depth Study of the Influence of Host−Framework Flexibility on the Diffusion of Small Gas Molecules in One-Dimensional Zeolitic Pore Systems

5. Adsorption of Guest Molecules in Zeolitic Materials: Computational Aspects

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1. Potential Energy Surface-Based Descriptors for Nanoporous Materials and its Applications to Classification and CO₂ Gas Adsorption into Zeolites;ACS Applied Engineering Materials;2024-02-02

2. In Situ Visualisation of Zeolite Anisotropic Framework Flexibility During Catalysis;2024

3. Molecular Dynamics Simulation of Pore-Size Effects on Gas Adsorption Kinetics in Zeolites;Clays and Clay Minerals;2023-02

4. Flexibility in zeolites: origin, limits, and evaluation;Chemical Science;2023

5. Incorporating Flexibility Effects into Metal–Organic Framework Adsorption Simulations Using Different Models;ACS Applied Materials & Interfaces;2021-12-20

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