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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, 2002-10, Vol.211 (2), p.398-406

Delbecq, F

2002

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Enantioselective reduction of prochiral ketones promoted by amino amide ruthenium complexes: A DFT study

Journal of organometallic chemistry, 2021-05, Vol.939, p.121765, Article 121765

2021

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Design and physicochemical properties of long and stiff fatty low molecular weight oleogelators

Journal of molecular liquids, 2019-12, Vol.295, p.111708, Article 111708

2019

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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, 2003-11, Vol.220 (1), p.115-126

2003

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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, 2002-10, Vol.211 (2), p.398-406

2002

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A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (48), p.11546-11556

2009

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Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations

Journal of catalysis, 2010-09, Vol.275 (1), p.129-139

2010

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Preferential CO oxidation in a large excess of hydrogen on Pt₃Sn surfaces

Journal of catalysis, 2011-03, Vol.278 (2), p.239-245

2011

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A TD-DFT investigation of two-photon absorption of fluorene derivatives

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (4), p.694-702

2009

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Competitive CC and CO Adsorption of α-β-Unsaturated Aldehydes on Pt and Pd Surfaces in Relation with the Selectivity of Hydrogenation Reactions: A Theoretical Approach

Journal of catalysis, 1995-04, Vol.152 (2), p.217-236

1995

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Adsorption of α,β-Unsaturated Aldehydes on Pt(111) and Pt−Sn Alloys: II. Crotonaldehyde

Journal of physical chemistry. C, 2009-08, Vol.113 (31), p.13947-13967

2009

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Further insight in the minor/major concept using hydrogen pressure effect in asymmetric hydrogenation

Journal of molecular catalysis. A, Chemical, 2012-11, Vol.363-364, p.214-222

2012

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Adsorption and Vibrations of α,β-Unsaturated Aldehydes on Pt(111) and Pt−Sn Alloy (111) Surfaces. 3. Adsorption Energy vs Adsorption Strength

Journal of physical chemistry. C, 2010-01, Vol.114 (2), p.1073-1084

2010

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Hydrogenation of 1,3-butadiene on Pd(111) and PdSn/Pd(111) surface alloys under UHV conditions

Chinese journal of catalysis, 2007-10, Vol.251 (1), p.123-130

2007

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Coverage Dependent Adsorption of Acrolein on Pt(111) from a Combination of First Principle Theory and HREELS Study

The journal of physical chemistry. B, 2004-07, Vol.108 (26), p.9085-9093

2004

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Unravelling the Mechanism of Glycerol Hydrogenolysis over Rhodium Catalyst through Combined Experimental-Theoretical Investigations

Chemistry : a European journal, 2011-12, Vol.17 (50), p.14288-14299

2011

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Adsorption and Vibrations of α,β-Unsaturated Aldehydes on Pure Pt and Pt−Sn Alloy (111) Surfaces I. Prenal

Journal of physical chemistry. C, 2008-03, Vol.112 (10), p.3701-3718

2008

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Adsorption thermodynamics of acrolein on Pt (1 1 1) in realistic temperature and pressure from first-principle calculations

Chemical physics letters, 2005-04, Vol.405 (4), p.434-439

2005

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Breaking the NO bond on Rh, Pd, and Pd3Mn alloy (100) surfaces: A quantum chemical comparison of reaction paths

The Journal of chemical physics, 2001-11, Vol.115 (17), p.8101-8111

2001

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Mechanistic and spectroscopic identification of initial reaction intermediates for prenal decomposition on a platinum model catalyst

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (13), p.6000-6009

2011

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Regioselectivity of the Nucleophilic Addition to (η3-allyl) Palladium Complexes. A Theoretical Study

Organometallics, 2000-07, Vol.19 (14), p.2716-2723

2000

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Coordination of α,β-unsaturated aldehydes on d6 Ru and Rh complexes: A DFT study

Journal of organometallic chemistry, 2006-02, Vol.691 (5), p.1030-1038

2006

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Extended surfactants and their tailored applications for vegetable oils extraction: An overview

Oléagineux corps gras lipides, 2021, Vol.28, p.7

2021

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Role of Hydroxyl Groups in the Basic Reactivity of MgO:a Theoretical and Experimental Study

Oil & gas science and technology, 2006-07, Vol.61 (4), p.479-488

2006

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Chemo−Regioselectivity in Heterogeneous Catalysis: Competitive Routes for CO and CC Hydrogenations from a Theoretical Approach

Journal of the American Chemical Society, 2006-02, Vol.128 (4), p.1316-1323

2006

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

Enantioselective reduction of prochiral ketones promoted by amino amide ruthenium complexes: A DFT study

Design and physicochemical properties of long and stiff fatty low molecular weight oleogelators

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

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

A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy

Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations

Preferential CO oxidation in a large excess of hydrogen on Pt₃Sn surfaces

A TD-DFT investigation of two-photon absorption of fluorene derivatives

Competitive CC and CO Adsorption of α-β-Unsaturated Aldehydes on Pt and Pd Surfaces in Relation with the Selectivity of Hydrogenation Reactions: A Theoretical Approach

Adsorption of α,β-Unsaturated Aldehydes on Pt(111) and Pt−Sn Alloys: II. Crotonaldehyde

Further insight in the minor/major concept using hydrogen pressure effect in asymmetric hydrogenation

Adsorption and Vibrations of α,β-Unsaturated Aldehydes on Pt(111) and Pt−Sn Alloy (111) Surfaces. 3. Adsorption Energy vs Adsorption Strength

Hydrogenation of 1,3-butadiene on Pd(111) and PdSn/Pd(111) surface alloys under UHV conditions

Coverage Dependent Adsorption of Acrolein on Pt(111) from a Combination of First Principle Theory and HREELS Study

Unravelling the Mechanism of Glycerol Hydrogenolysis over Rhodium Catalyst through Combined Experimental-Theoretical Investigations

Adsorption and Vibrations of α,β-Unsaturated Aldehydes on Pure Pt and Pt−Sn Alloy (111) Surfaces I. Prenal

Adsorption thermodynamics of acrolein on Pt (1 1 1) in realistic temperature and pressure from first-principle calculations

Breaking the NO bond on Rh, Pd, and Pd3Mn alloy (100) surfaces: A quantum chemical comparison of reaction paths

Mechanistic and spectroscopic identification of initial reaction intermediates for prenal decomposition on a platinum model catalyst

Regioselectivity of the Nucleophilic Addition to (η3-allyl) Palladium Complexes. A Theoretical Study

Coordination of α,β-unsaturated aldehydes on d6 Ru and Rh complexes: A DFT study

Extended surfactants and their tailored applications for vegetable oils extraction: An overview

Role of Hydroxyl Groups in the Basic Reactivity of MgO:a Theoretical and Experimental Study

Chemo−Regioselectivity in Heterogeneous Catalysis: Competitive Routes for CO and CC Hydrogenations from a Theoretical Approach

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