Mechanism of Selective Hydrogenation of α,β-Unsaturated Aldehydes on Silver Catalysts: A Density Functional Study

Kok Hwa Lim; Amjad B. Mohammad; Ilya V. Yudanov; Konstantin M. Neyman; Michael Bron; Peter Claus; Notker Rösch

doi:10.1021/jp902078c

Mechanism of Selective Hydrogenation of α,β-Unsaturated Aldehydes on Silver Catalysts: A Density Functional Study

The Journal of Physical Chemistry C ◽

10.1021/jp902078c ◽

2009 ◽

Vol 113 (30) ◽

pp. 13231-13240 ◽

Cited By ~ 41

Author(s):

Kok Hwa Lim ◽

Amjad B. Mohammad ◽

Ilya V. Yudanov ◽

Konstantin M. Neyman ◽

Michael Bron ◽

...

Keyword(s):

Selective Hydrogenation ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Unsaturated Aldehydes ◽

Silver Catalysts

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A Density Functional Study of Adsorption Structures of Unsaturated Aldehydes on Pt(111): A Key Factor for Hydrogenation Selectivity

Journal of Catalysis ◽

10.1006/jcat.2002.3744 ◽

2002 ◽

Vol 211 (2) ◽

pp. 398-406 ◽

Cited By ~ 9

Author(s):

F. Delbecq ◽

P. Sautet

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Unsaturated Aldehydes ◽

Key Factor ◽

Hydrogenation Selectivity

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Graphene-supported Cu11 nanocluster as a candidate catalyst for the selective hydrogenation of acetylene: A density functional study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2017.11.051 ◽

2018 ◽

Vol 735 ◽

pp. 117-130 ◽

Cited By ~ 8

Author(s):

Tahereh Abdollahi ◽

Davood Farmanzadeh

Keyword(s):

Selective Hydrogenation ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Selective Hydrogenation Of Acetylene

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A Density Functional Study of Adsorption Structures of Unsaturated Aldehydes on Pt(111): A Key Factor for Hydrogenation Selectivity

Journal of Catalysis ◽

10.1016/s0021-9517(02)93744-9 ◽

2002 ◽

Vol 211 (2) ◽

pp. 398-406 ◽

Cited By ~ 96

Author(s):

F Delbecq

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Unsaturated Aldehydes ◽

Key Factor ◽

Hydrogenation Selectivity

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Influence of Sn additives on the selectivity of hydrogenation of α-β-unsaturated aldehydes with Pt catalysts: a density functional study of molecular adsorption

Journal of Catalysis ◽

10.1016/s0021-9517(03)00249-5 ◽

2003 ◽

Vol 220 (1) ◽

pp. 115-126 ◽

Cited By ~ 84

Author(s):

F Delbecq

Keyword(s):

Density Functional ◽

Functional Study ◽

Molecular Adsorption ◽

Pt Catalysts ◽

Density Functional Study ◽

Unsaturated Aldehydes

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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