4.4 Article

Six questions on topology in theoretical chemistry

期刊

COMPUTATIONAL AND THEORETICAL CHEMISTRY
卷 1053, 期 -, 页码 2-16

出版社

ELSEVIER
DOI: 10.1016/j.comptc.2014.09.028

关键词

Topological methods; Methodology; Chemical concepts; Observables

资金

  1. Engineering and Physical Sciences Research Council [EP/K005472/1] Funding Source: researchfish
  2. EPSRC [EP/K005472/1] Funding Source: UKRI

向作者/读者索取更多资源

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? (C) 2014 Elsevier B.V. All rights reserved.

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