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Special Issue "Electronic Structure Theory of Molecules at Interfaces"

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Physical Chemistry".

Deadline for manuscript submissions: closed (31 August 2019).

Special Issue Editor

Prof. Dr. Mark R. Hoffmann
E-Mail Website
Guest Editor
Department of Chemistry, University of North Dakota, Grand Forks, Grand Forks, ND 58202-9024, USA
Interests: electronic structure theory; multireference perturbation theory; embedding; excited electronic states; strong correlation
Special Issues and Collections in MDPI journals

Special Issue Information

Dear Colleagues,

The “Electronic Structures of Molecules at Interfaces” is a rich and timely subject that has received attention from a variety of specialized research interests, including e.g. reactions on solid surfaces, molecules on membranes, and molecules in pores. This Special Issue intends to gather in one place both recent methodological advances and specific studies that have extended the limits of what is possible. Papers that explore theoretical/computational developments are welcome from both the cluster model framework, appropriate for insulator and large bandgap semiconductor substrates, to the periodic and supercell framework, more appropriate for metals and small bandgap semiconductors. Formal developments in embedded systems, including Green’s functions, would not be out of place. It is envisaged that the Special Issue will encourage cross-pollination between different perspectives on molecules at interfaces. The Special Issue can be expected to be of interest to a variety of chemistry subdisciplines, but also to physicists and chemical engineers.

Prof. Dr. Mark R. Hoffmann
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers

There is no accepted submissions to this special issue at this moment.
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