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Six Questions on Topology in Theoretical Chemistry

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Publication date 2015
Project Properties of metal-organic materials from accurate electron density determination
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Original article (peer-reviewed)

Journal Comput. Theo. Chem.
Volume (Issue) 1053
Page(s) 2 - 16
Title of proceedings Comput. Theo. Chem.
DOI 10.1016/j.comptc.2014.09.028

Abstract

The paper collects the answers of the authors to the following questions: - What is the significance of topological approach? - Can new chemical concepts be found by a topological approach? - What is the status of a chemical concept within a topological approach? - Should topological approaches provide measurable quantities? - Is it possible to predict the outcome of a topological approach without performing a calculation on a computer? - What are new domains for which topological approaches would be useful?
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