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Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis

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Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis

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Boronat Zaragoza, M.; Concepción Heydorn, P. (2017). Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis. Catalysis Today. 285:166-178. https://doi.org/10.1016/j.cattod.2016.11.048

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/85006

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Title: Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis
Author: Boronat Zaragoza, Mercedes Concepción Heydorn, Patricia
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
[EN] By combining theoretical modelling, in situ spectroscopy and kinetic studies it is possible to understand, at the molecular level, the role that the different types of active centres co-existing on real heterogeneous ...[+]
Subjects: DFT , IR spectroscopy , Kinetics , Catalyst design , Hydrogenation , C C bond forming reactions
Copyrigths: Cerrado
Source:
Catalysis Today. (issn: 0920-5861 ) (eissn: 1873-4308 )
DOI: 10.1016/j.cattod.2016.11.048
Publisher:
Elsevier
Publisher version: http://doi.org/10.1016/j.cattod.2016.11.048
Project ID:
info:eu-repo/grantAgreement/MICINN//CSD2009-00050/ES/Desarrollo de catalizadores más eficientes para el diseño de procesos químicos sostenibles y produccion limpia de energia/
info:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/
info:eu-repo/grantAgreement/GVA//PROMETEOII%2F2013%2F011/ES/Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas (PROMETEO)/
info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/
Thanks:
The authors thankMINECO (Consolider Ingenio 2010-MULTICAT CSD2009-00050 and Severo Ochoa program SEV-2012-0267), Generalitat Valenciana (PROMETEOII/2013/011 Project) and European Union (ERC-AdG-2014-671093 — SynCatMatch) ...[+]
Type: Artículo

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