http://www.cnr.it/ontology/cnr/individuo/prodotto/ID288265

Six questions on topology in theoretical chemistry (Articolo in rivista)

Type

Prodotto della ricerca (Classe)
Articolo in rivista (Classe)

Label

Six questions on topology in theoretical chemistry (Articolo in rivista) (literal)

Anno

2015-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

10.1016/j.comptc.2014.09.028 (literal)

Alternative label

Ayers, Paul L., Boyd, Russell J., Bultinck, Patrick, Caffarel, Michel, Carbo Dorca, Ramon, Causà, Mauro, Cioslowski, Jerzy, Contreras-Garcia, Julia, Cooper, David L., Coppens, Philip, Gatti, Carlo, Grabowsky, Simon, Lazzeretti, Paolo, Macchi, Piero, Martin Pendas, Angel, Popelier, Paul L.A., Ruedenberg, Klaus, Rzepa, Henry, Savin, Andreas, Sax, Alexander, Schwarz, W.H. Eugen, Shahbazian, Shant, Silvi, Bernard, Solá, Miquel, Tsirelson, Vladimir (2015)
Six questions on topology in theoretical chemistry
in Computational and theoretical chemistry (Print); Elsevier, Amsterdam (Paesi Bassi)
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Ayers, Paul L., Boyd, Russell J., Bultinck, Patrick, Caffarel, Michel, Carbo Dorca, Ramon, Causà, Mauro, Cioslowski, Jerzy, Contreras-Garcia, Julia, Cooper, David L., Coppens, Philip, Gatti, Carlo, Grabowsky, Simon, Lazzeretti, Paolo, Macchi, Piero, Martin Pendas, Angel, Popelier, Paul L.A., Ruedenberg, Klaus, Rzepa, Henry, Savin, Andreas, Sax, Alexander, Schwarz, W.H. Eugen, Shahbazian, Shant, Silvi, Bernard, Solá, Miquel, Tsirelson, Vladimir (literal)

Pagina inizio

2 (literal)

Pagina fine

16 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

1053 (literal)

Rivista

Computational and theoretical chemistry (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

15 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

a Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, L8S 4M1 Hamilton, Ontario, Canada b Department of Chemistry, Dalhousie University, Halifax, Nova Scotia B3H 4R2, Canada c Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), B9000 Ghent, Belgium d Laboratoire de Chimie et Physique Quantiques, CNRS-IRSAMC Université de Toulouse, France e Institut de Química Computacional i Catálisi (IQCC) and Departament de Química, Universitat de Girona, Campus de Montilivi, E-17071 Girona, Catalonia, Spain f Dipartimento di Chimica Paolo Corradini, Universitá degli Studi di Napoli \"Federico II\", Via Cintia, 80126 Napoli, Italy g Institute of Physics, University of Szczecin, Wielkopolska 15, 70-451 Szczecin, Poland h Sorbonne Universités, UPMC, Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, case courrier 137, 4 place Jussieu, F-75005 Paris, France i Department of Chemistry, University of Liverpool, Liverpool L69 7ZD, United Kingdom j Chemistry Department, University at Buffalo, SUNY, Buffalo, New York 14260-3000, United States k CNR-ISTM Istituto di Scienze e Tecnologie Molecolari, via Golgi 19, 20133 Milano, Italy l School of Chemistry and Biochemistry, Chemistry M310, The University of Western Australia, 35 Stirling Highway, Crawley, WA 6009, Australia m Dipartimento di Scienze Chimiche e Geologiche, Universitá degli Studi di Modena, via G. Campi 183, 41100 Modena, Italy n Department of Chemistry and Biochemistry, University of Berne, Freiestrasse 3, CH-3012 Berne, Switzerland o Departamento de Química Física y Analítica, Universidad de Oviedo, E-33006 Oviedo, Spain p Manchester Institute of Biotechnology (MIB), 131 Princess Street, Manchester M1 7DN, United Kingdom q School of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom r Department of Chemistry and Ames Laboratory USDOE, Iowa State University, Ames, Iowa 50011, USA s Department of Chemistry, Imperial College London, South Kensington Campus, Exhibition Road, London SW7 2AY, United Kingdom t Department of Chemistry, University of Graz, Heinrichstrasse 28, 8010 Graz, Austria u Theoretical Chemistry Groups at Tsinghua University, Beijing 100084, China v Physical and Theoretical Chemistry Laboratory, Faculty of Science and Engineering, University of Siegen, Siegen 57068, Germany w Faculty of Chemistry, Department of Pure Chemistry, Shahid Beheshti University, G.C., Evin, Tehran, Iran x Department of Quantum Chemistry, Mendeleev University of Chemical Technology, Miusskaya Square 9, 125047 Moscow, Russia (literal)

Titolo

Six questions on topology in theoretical chemistry (literal)

Abstract

The paper collects the answers of the authors to the following questions: 1. What is the significance of topological approach? 2. Can new chemical concepts be found by a topological approach? 3. What is the status of a chemical concept within a topological approach? 4. Should topological approaches provide measurable quantities? 5. Is it possible to predict the outcome of a topological approach without performing a calculation on a computer? 6. What are new domains for which topological approaches would be useful? (literal)

Editore