A Novel Møller−Plesset Perturbation Based Potential for Determining the Structural and Dynamical Properties of Methane in Silicalite-1: A Molecular Dynamics Study-Reference-Cited by-同舟云学术

A Novel Møller−Plesset Perturbation Based Potential for Determining the Structural and Dynamical Properties of Methane in Silicalite-1: A Molecular Dynamics Study

Published:2004-08-10 Issue:35 Volume:108 Page:13347-13352
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Bussai C.¹,Fritzsche S.¹,Haberlandt R.¹,Hannongbua S.¹

Affiliation:

1. Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand, and Department of Molecular Dynamics/Computer Simulations, Institute for Theoretical Physics (ITP), Faculty of Physics and Geoscience, University of Leipzig, Augustusplatz 10−11, 04109 Leipzig, Germany

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0401978

Reference42 articles.

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2. Diffusion and reaction in ZSM-5 and composite catalysts for the methanol-to-olefins process

3. Dynamics of n-Butane−Methane Mixtures in Silicalite, Using Quasielastic Neutron Scattering and Molecular Dynamics Simulations

4. Diffusion of a Mixture of Methane and Xenon in Silicalite: A Molecular Dynamics Study and Pulsed Field Gradient Nuclear Magnetic Resonance Experiments

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