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Issue 12, 2007
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Is my chemical universe localized or delocalized? is there a future for chemical concepts?

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Abstract

The essay discusses the interplay between the two major concepts of molecular description: the localized and delocalized representations. It is shown by means of examples that crossing through the looking glass between the two conceptual worlds intensifies the insight. The role of concepts as generators of our worlds is stressed and it is argued that concepts are needed more than ever in to-day’s computational quantum chemistry.

Graphical abstract: Is my chemical universe localized or delocalized? is there a future for chemical concepts?

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Publication details

The article was received on 30 Jul 2007, accepted on 24 Sep 2007 and first published on 05 Oct 2007


Article type: Perspective
DOI: 10.1039/B711641C
Citation: New J. Chem., 2007,31, 2015-2028
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    Is my chemical universe localized or delocalized? is there a future for chemical concepts?

    S. Shaik, New J. Chem., 2007, 31, 2015
    DOI: 10.1039/B711641C

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