Faraday Discussions

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Subject: Faraday Discussions
Date: Tue, 6 Jan 1998 16:45:39 -0500 (EST)

Faraday Discussions

http://www.rsc.org/is/journals/current/faraday/fadpub.htm

ISSN 0301-7249 

Faraday Discussions is a subscription-based electronic version of the
print journal of the same title.  Full-text is available as PDF files to
subscribers.

About the Journal:

	Faraday Discussions documents a long-established series of
        Faraday Discussion meetings which provide a unique
        international forum for the exchange of views and newly
        acquired results in developing areas of physical chemistry,
        biophysical chemistry and chemical physics. 

        The papers presented are published in the Faraday Discussion
        volume together with a record of the discussion contributions
        made at the meeting. Faraday Discussions therefore provide an
        important record of current international knowledge and views
        in the field concerned. 

Recent Contents:

Solid State Chemistry: New Opportunities from
        Computer Simulations

        1 
            Introductory Lecture: Computer modelling as a
            technique in solid state chemistry 
            C. Richard A. Catlow, Lutz Ackermann, Robert G. Bell,
            Furio Corà, David H. Gay, Martin A. Nygren, J. Carlos
            Pereira, German Sastre, Ben Slater and Phillip E. Sinclair
        41 
            Structure and reactivity of silica and zeolite catalysts
            by a combined quantum mechanics–shell-model
            potential approach based on DFT 
            Marek Sierka and Joachim Sauer 
        63 
            Computer simulations of organic solids and their
            liquid-state precursors 
            A. Gavezzotti 
        79 
            Computer simulation of zeolite structure and
            reactivity using embedded cluster methods 
            Paul Sherwood, Alex H. de Vries, Simon J. Collins,
            Stephen P. Greatbanks, Neil A. Burton, Mark A. Vincent
            and Ian H. Hillier 
        93 
            Simulation of adsorption and diffusion of
            hydrocarbons in zeolites 
            Berend Smit, L. Daniël J. C. Loyens and Guy L. M. M.
            Verbist 
        105 
            Temperature dependence of the levitation effect.
            Implications for separation of multicomponent
            mixtures 
            Subramanian Yashonath and Chitra Rajappa 
        119 
            General Discussion 
        135 
            Ab initio simulation of molecular processes on oxide
            surfaces 
            Phillip J. D. Lindan, Joseph Muscat, Simon Bates,
            Nicholas M. Harrison and Mike Gillan 
        155 
            Cluster model calculations of oxygen vacancies in
            SiO2 and MgO. Formation energies, optical transitions
            and EPR spectra 
            Gianfranco Pacchioni, Anna Maria Ferrai and Gianluigi
            Ieranò

Contact:

faraday@rsc.org