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First-principles design of highly active and selective catalysts for phosgene-free synthesis of aromatic polyurethanes

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First-principles design of highly active and selective catalysts for phosgene-free synthesis of aromatic polyurethanes

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dc.contributor.author Laursen ., Siris Odin es_ES
dc.contributor.author Cómbita Merchán, Diego Fernando es_ES
dc.contributor.author Hungría, Ana B. es_ES
dc.contributor.author Boronat Zaragoza, Mercedes es_ES
dc.contributor.author Corma Canós, Avelino
dc.date.accessioned 2013-06-10T11:49:42Z
dc.date.issued 2012
dc.identifier.issn 1433-7851
dc.identifier.uri http://hdl.handle.net/10251/29570
dc.description.sponsorship We thank the Generalitat Valenciana (GV/2009/063 and PROM-ETEO 2088/130) and the Spanish MICINN (MAT2011-28009, and Consolider Ingenio 2010-MULTICAT: CSD2009-00050) for financial support. We thank Red Espanola de Supercomputacion (RES) for computational resources. D.C. thanks Spanish MICINN for a postgraduate scholarship, and S.L. thanks ITQ for a post-doctoral fellowship. en_EN
dc.language Inglés es_ES
dc.publisher Wiley-VCH Verlag es_ES
dc.relation Generalitat Valenciana (GV/2009/063 and PROM-ETEO 2088/130) es_ES
dc.relation Spanish MICINN (MAT2011-28009, and Consolider Ingenio 2010-MULTICAT: CSD2009-00050) es_ES
dc.relation.ispartof Angewandte Chemie International Edition es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Carbamoylation es_ES
dc.subject Crystal shape es_ES
dc.subject Density functional calculations es_ES
dc.subject Green chemistry es_ES
dc.subject Nanocrystals es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.title First-principles design of highly active and selective catalysts for phosgene-free synthesis of aromatic polyurethanes es_ES
dc.type Artículo es_ES
dc.embargo.lift 10000-01-01
dc.embargo.terms forever es_ES
dc.identifier.doi 10.1002/anie.201108849
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Laursen ., SO.; Combita Merchán, DF.; Hungría, AB.; Boronat Zaragoza, M.; Corma Canós, A. (2012). First-principles design of highly active and selective catalysts for phosgene-free synthesis of aromatic polyurethanes. Angewandte Chemie International Edition. 124:1-5. doi:10.1002/anie.201108849 es_ES
dc.description.accrualMethod Senia es_ES
dc.relation.publisherversion http://dx.doi.org/10.1002/anie.201108849 es_ES
dc.description.upvformatpinicio 1 es_ES
dc.description.upvformatpfin 5 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 124 es_ES
dc.relation.senia 236420


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