Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
5.8
3.1
Journals
Materials
Special Issues
Computer Modelling of Microporous Materials
materials-logo
Submit to Materials Review for Materials Propose a Special Issue

Journal Menu

► Journal Menu

Journal Browser

► Journal Browser
share announcement

Computer Modelling of Microporous Materials

A special issue of Materials (ISSN 1996-1944).

Deadline for manuscript submissions: closed (31 December 2011) | Viewed by 6045

Special Issue Editor

Prof. Dr. Richard Catlow

E-Mail Website
Guest Editor
Department of Chemistry, University College London, Gower Street, London WC1E 6BT, UK
Interests: solid state; computational chemistry; zeolites; catalysis

Benefits of Publishing in a Special Issue

  • Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
  • Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
  • Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
  • External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
  • e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue polices can be found here.

Published Papers (1 paper)

Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

933 KiB  
Article
Template-Based Geometric Simulation of Flexible Frameworks
by Stephen A. Wells and Asel Sartbaeva
Materials 2012, 5(3), 415-431; https://doi.org/10.3390/ma5030415 - 12 Mar 2012
Cited by 16 | Viewed by 5642
Abstract
Specialised modelling and simulation methods implementing simplified physical models are valuable generators of insight. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units. We review the background, development and implementation of the method, and its [...] Read more.
Specialised modelling and simulation methods implementing simplified physical models are valuable generators of insight. Template-based geometric simulation is a specialised method for modelling flexible framework structures made up of rigid units. We review the background, development and implementation of the method, and its applications to the study of framework materials such as zeolites and perovskites. The “flexibility window” property of zeolite frameworks is a particularly significant discovery made using geometric simulation. Software implementing geometric simulation of framework materials, “GASP”, is freely available to researchers. Full article
(This article belongs to the Special Issue Computer Modelling of Microporous Materials)
►▼ Show Figures

Graphical abstract

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-1
Back to TopTop