Details

Autor(en) / Beteiligte

• Ayers, Paul L.
• Boyd, Russell J.
• Bultinck, Patrick
• Caffarel, Michel
• Carbó-Dorca, Ramon
• Causá, Mauro
• Cioslowski, Jerzy
• Contreras-Garcia, Julia
• Cooper, David L.
• Coppens, Philip
• Gatti, Carlo
• Grabowsky, Simon
• Lazzeretti, Paolo
• Macchi, Piero
• Martín Pendás, Ángel
• Popelier, Paul L.A.
• Ruedenberg, Klaus
• Rzepa, Henry
• Savin, Andreas
• Sax, Alexander
• Schwarz, W.H. Eugen
• Shahbazian, Shant
• Silvi, Bernard
• Solà, Miquel
• Tsirelson, Vladimir

Titel

Six questions on topology in theoretical chemistry

Ist Teil von

• Computational and theoretical chemistry, 2015-02, Vol.1053, p.2-16

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2015

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• [Display omitted] •What is meant by “topological approach”?•“Topological approach” and chemical concepts.•Measurable quantities from “topological approaches”.•Predicting the outcome of a “topological approach”.•New domains of application. 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?