Direct Determination of the Intermolecular Structure of the Adsorbed Phase Using X-Ray Diffraction and Reverse Monte Carlo Methods

A new direct method for determining the intermolecular structure of molecular assemblies in micropores using reverse Monte Carlo (RMC) simulation is proposed. The method gives the molecular configuration in an adsorption phase using experimental X-ray diffraction profiles and an assumed pore structu...

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Bibliographic Details
Main Authors: Taku Iiyama, Rei Aragaki, Takafumi Urushibara, Sumio Ozeki
Format: Article
Language:English
Published: SAGE Publishing 2006-11-01
Series:Adsorption Science & Technology
Online Access:https://doi.org/10.1260/026361706781388941
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