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

Sason Shaik*

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

63 Scopus citations

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.

Original languageEnglish
Pages (from-to)2015-2028
Number of pages14
JournalNew Journal of Chemistry
Volume31
Issue number12
DOIs
StatePublished - 2007

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