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Reactivity of Ti(iv) species hosted in TS-1 towards H2O2-H2O solutions investigated by ab initio cluster and periodic approaches combined with experimental XANES and EXAFS data : a review and new highlights

BORDIGA, Silvia1 ; BONINO, Francesca1 ; DAMIN, Alessandro1 ; LAMBERTI, Carlo1
[1] Department of Inorganic, Physical and Materials Chemistry and NIS Centre of Excellence, Universitd di Torino, Via P. Giuria 7, 10125 Torino, Italy

PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 35, pp 4854-4878, 25 p ; ref : 217 ref

Scientific domain
Biochemistry, molecular biology, biophysics; General chemistry, physical chemistry; Atomic molecular physics
Royal Society of Chemistry, Cambridge
Publication country
United Kingdom
Document type
Keyword (fr)
Ammoniac Article synthèse Basse température Calcul ab initio Chimie physique Diffraction neutron EXAFS Eau Etude comparative Etude théorique Géométrie Hydrogène peroxyde Insertion Lacune Milieu aqueux Modèle Méthode étude Oxydant Oxydation Phase gazeuse Rayon X Reconnaissance moléculaire Réactivité chimique Spectrométrie EXAFS Spectrométrie RMN Spectrométrie XANES Théorie Zéolite 3115A Sonde spectroscopique Tamis moléculaire
Keyword (en)
Ammonia Review Low temperature Ab initio calculations Physical chemistry Neutron diffraction EXAFS Water Comparative study Theoretical study Geometry Hydrogen peroxide Insertion Vacancy Aqueous medium Models Investigation method Oxidant Oxidation Gas phase X ray Molecular recognition Chemical reactivity EXAFS spectrometry NMR spectrometry XANES spectrometry Theory Zeolite Molecular sieve
Keyword (es)
Amoníaco Artículo síntesis Baja temperatura Fisicoquímica Difracción neutrónica Agua Estudio comparativo Estudio teórico Geometría Peróxido de hydrogeno Inserción Cavidad Medio acuoso Modelo Método estudio Oxidante Oxidación Fase gaseosa Rayos X Reconocimiento molecular Reactividad química Espectrometría EXAFS Espectrometría RMN Espectrometría XANES Teoría Zeolita Tamiz molecular
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01I Surface physical chemistry / 001C01I05 Ion-exchange / 001C01I05A Zeolites: preparations and properties

General chemistry and physical chemistry
INIST identifier

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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