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1

Analysis of Mixtures of Fatty Acid Esters by Chromarod Chromatography/Flame Ionization Detection

C. Lacaze-Dufaure, Z. Mouloungui

Journal:

Journal of Separation Science

Year:

1999

Language:

english

File:

PDF, 75 KB

english, 1999

2

Fatty Acid Methyl Esters as Biosolvents of Epoxy Resins: A

Y. Medina Gonzalez, P. de Caro, S. Thiebaud-Roux, C. Lacaze-Dufaure

Journal:

Journal of Solution Chemistry

Year:

2007

Language:

english

File:

PDF, 559 KB

english, 2007

3

Electrochemical Reduction of G3-Factor Endoperoxide and Its Methyl Ether: Evidence for a Competition between Concerted and Stepwise Dissociative Electron Transfer

Fadia Najjar, Christiane André-Barrès, Michel Baltas, Corinne Lacaze-Dufaure, David C. Magri, Mark S. Workentin, Théodore Tzédakis

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 162 KB

english, 2007

4

Tandem Palladium-Catalyzed Cyclocarbonylation of Isolimonene: A Mechanistic Investigation and Theoretical Calculations on the Fully Diastereoselective Step

Géraldine Lenoble, Corinne Lacaze-Dufaure, Martine Urrutigoïty, Claude Mijoule, Philippe Kalck

Journal:

European Journal of Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 155 KB

english, 2004

5

On the interaction of Mo and Mo2 with NH3, C2H4, and C3H6

Corinne Lacaze-Dufaure, Tzonka Mineva, Nino Russo

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

6

A DFT study of the NO adsorption on Pdn (n = 1–4) clusters

C. Lacaze-Dufaure, J. Roques, C. Mijoule, E. Sicilia, N. Russo, V. Alexiev, T. Mineva

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2011

Language:

english

File:

PDF, 398 KB

english, 2011

7

Density functional theoretical study of Cun, Aln (n = 4–31) and copper doped aluminum clusters: Electronic properties and reactivity with atomic oxygen

Corinne Lacaze-Dufaure, Christine Blanc, Georges Mankowski, Claude Mijoule

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 294 KB

english, 2007

8

Density functional study of copper segregation in aluminum

A. Benali, C. Lacaze-Dufaure, J. Morillo

Journal:

Surface Science

Year:

2011

Language:

english

File:

PDF, 564 KB

english, 2011

9

A DFT study of the G3-Factor and derivatives

Corinne Lacaze-Dufaure, Fadia Najjar, Christiane André-Barrès

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 114 KB

english, 2007

10

Periodic density functional study of Rh and Pd interaction with the (1 0 0)MgO surface

T. Mineva, V. Alexiev, C. Lacaze-Dufaure, E. Sicilia, C. Mijoule, N. Russo

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 709 KB

english, 2009

11

Catalysed or uncatalysed esterification reaction of oleic acid with 2-ethyl hexanol

Corinne Lacaze-Dufaure, Zéphirin Mouloungui

Journal:

Applied Catalysis A: General

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

12

NMR and density functional studies of the stereoselective palladium catalyzed cyclocarbonylation of (1R,4R)-isolimonene

Corinne Lacaze-Dufaure, Géraldine Lenoble, Martine Urrutigoı̈ty, Jean-Pierre Gorrichon, Claude Mijoule, Philippe Kalck

Journal:

Tetrahedron: Asymmetry

Year:

2001

Language:

english

File:

PDF, 142 KB

english, 2001

13

Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree–Fock and density functional study

J. Torras, C. Lacaze-Dufaure, N. Russo, J.M. Ricart

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2001

Language:

english

File:

PDF, 424 KB

english, 2001

14

Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model

Mohamed Kamel Hadj-Kali, Vincent Gerbaud, Xavier Joulia, Corinne Lacaze-Dufaure, Claude Mijoule, Philippe Ungerer

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 274 KB

english, 2008

15

Effect of catalytic conditions on the synthesis of new aconitate esters

William Piang-Siong, Pascale de Caro, Corinne Lacaze-Dufaure, Alain Shum Cheong Sing, William Hoareau

Journal:

Industrial Crops and Products

Year:

2012

Language:

english

File:

PDF, 887 KB

english, 2012

16

Comparison between some properties of small clusters and the (1 1 1) surface of palladium: a density-functional approach

Jérôme Roques, Corinne Lacaze-Dufaure, Claude Mijoule

Journal:

Surface Science

Year:

2001

Language:

english

File:

PDF, 147 KB

english, 2001

17

Dissociative Adsorption of Hydrogen and Oxygen on Palladium Clusters: A Comparison with the (111) Infinite Surface †

Roques, Jérôme, Lacaze-Dufaure, Corinne, Mijoule, Claude

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 180 KB

english, 2007

18

First Computational Evidence of a Competitive Stepwise and Concerted Mechanism for the Reduction of Antimalarial Endoperoxides

Lacaze-Dufaure, Corinne, Najjar, Fadia, André-Barrès, Christiane

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 1.34 MB

english, 2010

19

Toward a computational and experimental model of a poly-epoxy surface

Duguet, Thomas, Bessaguet, Camille, Aufray, Maëlenn, Esvan, Jérôme, Charvillat, Cédric, Vahlas, Constantin, Lacaze-Dufaure, Corinne

Journal:

Applied Surface Science

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

20

DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface

Chiter, Fatah, Lacaze-Dufaure, Corinne, Tang, Hao, Pébère, Nadine

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.18 MB

english, 2015

21

Effect of van der Waals corrections on DFT-computed metallic surface properties

Chiter, Fatah, Nguyen, Van Bac, Tarrat, Nathalie, Benoit, Magali, Tang, Hao, Lacaze-Dufaure, Corinne

Journal:

Materials Research Express

Year:

2016

Language:

english

File:

PDF, 1.40 MB

english, 2016

22

A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra

Gavrielides, A., Duguet, T., Esvan, J., Lacaze-Dufaure, C., Bagus, P. S.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 748 KB

english, 2016

23

Electronic structure of tetra(4-aminophenyl)porphyrin studied by photoemission, UV–Vis spectroscopy and density functional theory

Giovanelli, L., Lee, H.-L., Lacaze-Dufaure, C., Koudia, M., Clair, S., Lin, Y.-P., Ksari, Y., Themlin, J.-M., Abel, M., Cafolla, A.A.

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2017

Language:

english

File:

PDF, 966 KB

english, 2017

24

DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface

Hemeryck, A., Motta, A., Lacaze-Dufaure, C., Costa, D., Marcus, P.

Journal:

Applied Surface Science

Year:

2017

Language:

english

File:

PDF, 1.81 MB

english, 2017

25

CO2-expanded alkyl acetates: physicochemical and molecular modeling study and applications in chemical processes.

Granero-Fernandez, Emanuel, Machin, Devin, Lacaze-Dufaure, Corinne, Camy, Séverine, Condoret, Jean-Stephane, Gerbaud, Vincent, Charpentier, Paul A., Medina-Gonzalez, Yaocihuatl

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2018

Language:

english

File:

PDF, 1023 KB

english, 2018

26

Corrosion protection of Al(111) by 8-hydroxyquinoline: a comprehensive DFT study

Chiter, Fatah, Bonnet, Marie-Laure, Lacaze-Dufaure, Corinne, Tang, Hao, Pébère, Nadine

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.54 MB

english, 2018

27

Model of the DGEBA-EDA Epoxy Polymer: Experiments and Simulation Using Classical Molecular Dynamics

Gavrielides, Andreas, Duguet, Thomas, Aufray, Maëlenn, Lacaze-Dufaure, Corinne

Journal:

International Journal of Polymer Science

Year:

2019

File:

PDF, 2.20 MB

2019

28

Model of the DGEBA-EDA Epoxy Polymer: Experiments and Simulation Using Classical Molecular Dynamics

Gavrielides, Andreas, Duguet, Thomas, Aufray, Maëlenn, Lacaze-Dufaure, Corinne

Journal:

International Journal of Polymer Science

Year:

2019

Language:

english

File:

PDF, 2.20 MB

english, 2019

29

Controlling solvation and mass transport properties of bio-based solvents through CO2-expansion: A physicochemical and molecular modelling study.

Granero-Fernandez, Emanuel, Lacaze-Dufaure, Corinne, Condoret, Jean-Stephane, Gerbaud, Vincent, Medina-Gonzalez, Yaocihuatl

Journal:

Industrial & Engineering Chemistry Research

Year:

2019

Language:

english

File:

PDF, 1.90 MB

english, 2019

30

DFT Simulation of XPS Reveals Cu/Epoxy Polymer Interfacial Bonding

Duguet, Thomas, Gavrielides, Andreas, Esvan, Jérôme, Mineva, Tzonka, Lacaze-Dufaure, Corinne

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 2.07 MB

2019

31

8-Hydroxyquinoline complexes (Alq3) on Al(111): atomic scale structure, energetics and charge distribution

Bulteau, Yann, Tarrat, Nathalie, PÃ©bÃ¨re, Nadine, Lacaze-Dufaure, Corinne

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 4.27 MB

2020

32

Topological Analysis of Hydroxyquinoline Derivatives Interacting with Aluminum Cations or with an Al(111) Surface

Bulteau, Yann, Lepetit, Christine, Lacaze-Dufaure, Corinne

Journal:

Inorganic Chemistry

Year:

2020

File:

PDF, 5.64 MB

2020

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