Investigation of the reactions of small neutral iron oxide clusters with methanol

Journal of Chemical Physics

Volumn 130, Issue 11, 2009, Pages

  Xie, Yan ^a   Dong, Feng ^a   Heinbuch, Scott ^a,b   Rocca, Jorge J ^a,b   Bernstein, Elliot R ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

^b Engineering Research Center and Hydraulics Laboratory   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; DENSITY FUNCTIONAL THEORY; DEUTERIUM; ELECTRONIC STRUCTURE; FORMALDEHYDE; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HYDROGEN; MASS SPECTROMETRY; METHANOL; PHOTOIONIZATION;

CATALYTIC CYCLES; COMPUTATIONAL RESULTS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL OBSERVATIONS; FAST-FLOW REACTORS; HETEROGENEOUS REACTIONS; HYDROGEN TRANSFERS; IRON OXIDE CATALYSTS; IRON OXIDE CLUSTERS; METHANOL DEHYDROGENATIONS; REACTION INTERMEDIATES; REACTION MECHANISMS; REACTION PATHWAYS; REACTION PRODUCTS; SINGLE-PHOTON IONIZATIONS; TIME-OF FLIGHT MASS SPECTROMETRIES; TRANSITION STATE; VUV LASERS;

IRON OXIDES;

EID: 63149090529     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3086724     Document Type: Article

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46. See EPAPS Document No. E-JCPSA6-130-006910 for potential energy surfaces for F3 eO3 + CH3 OH→ F3 eO2 + CH2 O+ H2 O, F9 e2 O4 + CH3 OH→ F9 e2 O3 + CH2 O+ H2 O, F9 e2 O5 (conformer B) + CH3 OH→ F9 e2 O4 + CH2 O+ H2 O, and F9 e2 O5 (conformer A) + CH3 OH→ F9 e2 O4 + CH2 O+ H2 O. For more information on EPAPS, see http://www.aip.org/pubservs/epaps.html.