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http://hdl.handle.net/2445/142604
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DC Field | Value | Language |
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dc.contributor.author | Jover Modrego, Jesús | - |
dc.contributor.author | Maseras Cuní, Feliu | - |
dc.date.accessioned | 2019-10-21T13:24:55Z | - |
dc.date.available | 2019-10-21T13:24:55Z | - |
dc.date.issued | 2016 | - |
dc.identifier.issn | 0081-5993 | - |
dc.identifier.uri | http://hdl.handle.net/2445/142604 | - |
dc.description.abstract | The application of QM/MM methods to the study of the reaction mechanisms involved in chemo-, regio-, and enantio- selective processes has been a very productive area of research in the last two decades. This review summarizes basic general ideas in both QM/MM methods and the computational study of selectivity and presents selected results on the study of three of the most representative examples of these applications: rhodium-catalyzed hydrogenation, rhodium-catalyzed hydroformylation, and copper-catalyzed cyclopropanation. | - |
dc.format.extent | 21 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | Springer Verlag | - |
dc.relation.isformatof | Versió postprint del document publicat a: | - |
dc.relation.ispartof | Structure and Bonding, 2016, vol. 167, p. 59-79 | - |
dc.rights | (c) Springer Verlag, 2016 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Catàlisi | - |
dc.subject.classification | Hidrogenació | - |
dc.subject.classification | Hidroformilació | - |
dc.subject.other | Catalysis | - |
dc.subject.other | Hydrogenation | - |
dc.subject.other | Hydroformylation | - |
dc.title | QM/MM calculations on selectivity in homogeneous catalysis | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 667377 | - |
dc.date.updated | 2019-10-21T13:24:55Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
Files in This Item:
File | Description | Size | Format | |
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667377.pdf | 1.47 MB | Adobe PDF | View/Open |
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