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, M., Popelier, Á., Ruedenberg, P.L.A., Rzepa, K., Savin, H., Sax, A., et al.. - 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, M., Popelier, Á., Ruedenberg, P.L.A., Rzepa, K., Savin, H., Sax, A., et al.. - 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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