Literature DB >> 17186066

Modelling studies of water in crystalline nanoporous aluminosilicates.

Daniel Bougeard1, Konstantin S Smirnov.   

Abstract

The paper presents a review of molecular modelling studies of hydrated nanoporous aluminosilicates (zeolites and clays) performed during the last decade. A special emphasis is set on the calculation of the dynamical quantities and collective properties of the confined water. Some new results concerning the behaviour of water molecules in the siliceous silicalite and zeolite beta structures are presented.

Entities:  

Year:  2006        PMID: 17186066     DOI: 10.1039/b614463m

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  1 in total

1.  Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces.

Authors:  Todd R Zeitler; Jeffery A Greathouse; Julian D Gale; Randall T Cygan
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2014-03-21       Impact factor: 4.126

  1 in total

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