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Volumn 19, Issue 49, 2013, Pages 16595-16606

Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations

(8) Hemelsoet, Karen a,b Qian, Qingyun c De Meyer, Thierry a,b De Wispelaere, Kristof a,b De Sterck, Bart a,b,d Weckhuysen, Bert M c Waroquier, Michel a,b Van Speybroeck, Veronique a,b

a GHENT UNIVERSITY (Belgium)

b QCMM Alliance (Belgium)

c UTRECHT UNIVERSITY (Netherlands)

d Ineos Manufacturing Scotland Limited (United Kingdom)

Author keywords

density functional calculations; heterogeneous catalysis; molecular dynamics; UV Vis spectroscopy; zeolites

Indexed keywords

CARBONACEOUS SPECIES; EXPERIMENTAL METHODS; METHANOL CONVERSION; MOLECULAR SIMULATIONS; OPTICAL ABSORPTION PROPERTIES; QUANTUM MECHANICS/MOLECULAR MECHANICS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV/ VIS SPECTROSCOPY;

CATALYSIS; CATALYSTS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; METHANOL; MOLECULAR MODELING; REACTION INTERMEDIATES; REACTION KINETICS; ULTRAVIOLET VISIBLE SPECTROSCOPY; ZEOLITES;

MOLECULAR DYNAMICS;

EID: 84889642290 PISSN: 09476539 EISSN: 15213765 Source Type: Journal
DOI: 10.1002/chem.201301965 Document Type: Article

Times cited : (71)

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