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.

Six questions on topology in theoretical chemistry / Ayers, P. L.; Boyd, R. J.; Bultinck, P.; Caffarel, M.; Carbó-Dorca, R.; Causá, M.; Cioslowski, J.; Contreras-Garcia, J.; Cooper, D. L.; Coppens, P.; Gatti, C.; Grabowsky, S.; Lazzeretti, P.; Macchi, P.; Pendás, Martín; Popelier, Á.; Ruedenberg, P. L. A.; Rzepa, K.; Savin, H.; Sax, A.; Schwarz, A.; Shahbazian, W. H. E.; Silvi, S.; Solà, B.; Tsirelson, M.. - In: COMPUTATIONAL AND THEORETICAL CHEMISTRY. - ISSN 2210-271X. - 1053:SI(2015), pp. 2-16. [10.1016/j.comptc.2014.09.028]

Six questions on topology in theoretical chemistry

Causá M.;
2015

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? (C) 2014 Elsevier B.V. All rights reserved.
2015
Six questions on topology in theoretical chemistry / Ayers, P. L.; Boyd, R. J.; Bultinck, P.; Caffarel, M.; Carbó-Dorca, R.; Causá, M.; Cioslowski, J.; Contreras-Garcia, J.; Cooper, D. L.; Coppens, P.; Gatti, C.; Grabowsky, S.; Lazzeretti, P.; Macchi, P.; Pendás, Martín; Popelier, Á.; Ruedenberg, P. L. A.; Rzepa, K.; Savin, H.; Sax, A.; Schwarz, A.; Shahbazian, W. H. E.; Silvi, S.; Solà, B.; Tsirelson, M.. - In: COMPUTATIONAL AND THEORETICAL CHEMISTRY. - ISSN 2210-271X. - 1053:SI(2015), pp. 2-16. [10.1016/j.comptc.2014.09.028]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11588/698746
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