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

Sason Shaik

doi:10.1039/B711641C

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New Journal of Chemistry

Issue 12, 2007

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

Sason Shaik

New J. Chem., 2007, 31, 2015-2028

DOI: 10.1039/B711641C
Received 30 Jul 2007, Accepted 24 Sep 2007
First published on the web 05 Oct 2007

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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.

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

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