Isabelle Baraille: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

Surface reactivity of Li2MnO3: structural and morphological impact

Quesne-Turin, Ambroise, Flahaut, Delphine, Vallverdu, Germain, Croguennec, Laurence, Allouche, Joachim, Weill, FranÃ§ois, MÃ©nÃ©trier, Michel, Baraille, Isabelle

Journal:

Applied Surface Science

Year:

2020

File:

PDF, 2.40 MB

2020

2

Investigation of the Effect of Sulfur Heteroatom on Asphaltene Aggregation

Sodero, Ana C. R., Santos Silva, Hugo, Guevara Level, Patricia, Bouyssiere, Brice, Korb, Jean-Pierre, Carrier, Hervé, Alfarra, Ahmad, Bégué, Didier, Baraille, Isabelle

Journal:

Year:

2016

Language:

english

File:

PDF, 2.27 MB

english, 2016

3

A-VCI: A flexible method to efficiently compute vibrational spectra

Odunlami, Marc, Le Bris, Vincent, Bégué, Didier, Baraille, Isabelle, Coulaud, Olivier

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 581 KB

english, 2017

4

The impact of H-bonds and porphyrins on asphaltene aggregation as revealed by molecular dynamics simulations

Santos Silva, Hugo, Al Farra, Ahmad, Vallverdu, Germain, Bégué, Didier, Bouyssiere, Brice, Baraille, Isabelle

Journal:

Year:

2018

Language:

english

File:

PDF, 7.63 MB

english, 2018

5

An ab initio study

Tappero, Rémy, Baraille, Isabelle, Lichanot, Albert

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 183 KB

english, 1998

6

to the presence of an external static electric field: A density functional theory study

Harb, Moussab, Labéguerie, Pierre, Baraille, Isabelle, Rérat, Michel

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 284 KB

english, 2009

7

AIP Conference Proceedings [AIP Publishing LLC INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014) - Athens, Greece (4–7 April 2014)] - Preface of the "Symposium on theoretical and experimental coupling: On the treatment of complex chemical systems"

Baraille, Isabelle, Bégué, Didier

Year:

2014

Language:

english

File:

PDF, 570 KB

english, 2014

8

Selective, direct detection of acetylcholine in PBS solution, with self-assembled fluorescent nano-particles: experiment and modelling

Erieau-Peyrard, Lisa, Coiffier, Claire, Bordat, Patrice, Bégué, Didier, Chierici, Sabine, Pinet, Sandra, Gosse, Isabelle, Baraille, Isabelle, Brown, Ross

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 663 KB

english, 2015

9

Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: Matrix infrared spectra and anharmonic frequency calculations

Bégué, Didier, Baraille, Isabelle, Andersen, Heidi Gade, Wentrup, Curt

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.22 MB

english, 2013

10

Interstitial Orbitals for Simple Metals: 2D Systems

Baraille, Isabelle, Lepetit, Marie-Bernadette

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 514 KB

english, 1996

11

Using computed infrared intensities for the reduction of vibrational configuration interaction bases.

Le Bris, Vincent, Odunlami, Marc, BÃ©guÃ©, Didier, Baraille, Isabelle, Coulaud, Olivier

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 1.66 MB

2020

12

Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine

Marie-Pierre Habas, Isabelle Baraille, Christiane Larrieu, Max Chaillet

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 619 KB

english, 1997

13

A new fluorescent hemicryptophane for acetylcholine recognition with an unusual recognition mode

Fantozzi, Nicolas, PÃ©tuya, RÃ©mi, Insuasty, Alberto, Long, Augustin, Lefevre, Sara, Schmitt, Aline, Robert, Vincent, Dutasta, Jean-Pierre, Baraille, Isabelle, Guy, Laure, Genin, Emilie, BÃ©guÃ©, Didi

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 2.43 MB

2020

14

in its monoclinic and hexagonal phases

He, Haiying, Orlando, Roberto, Blanco, Miguel A., Pandey, Ravindra, Amzallag, Emilie, Baraille, Isabelle, Rérat, Michel

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 235 KB

english, 2006

15

Brillouin Spectroscopy, Calculated Elastic and Bond Properties of GaAsO 4

Bhalerao, Gopalkrishna M., Cambon, Olivier, Haines, Julien, Levelut, Claire, Mermet, Alain, Sirotkin, Sergey, Ménaert, Bertrand, Debray, Jérôme, Baraille, Isabelle, Darrigan, Clovis, Rérat, Michel

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 2.00 MB

english, 2010

16

The surface reactivity of Li2MnO3: First principles and experimental study

Quesne-Turin, Ambroise, Flahaut, Delphine, Croguennec, Laurence, Vallverdu, Germain, Allouche, Joachim, Charles-Blin, Youn, Chotard, Jean-Noël, Ménétrier, Michel, Baraille, Isabelle

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 1.32 MB

english, 2017

17

Ti vacancies on the (001) surface of TiS2 detected by scanning tunneling microscopy: A combined experimental and theoretical study

Emilie Amzallag, Hervé Martinez, Isabelle Baraille, Michel Rérat, Michel Loudet, Danielle Gonbeau

Journal:

Solid State Sciences

Year:

2007

Language:

english

File:

PDF, 534 KB

english, 2007

18

Host and adsorbate dynamics in silicates with flexible frameworks: Empirical force field simulation of water in silicalite

Bordat, Patrice, Cazade, Pierre-André, Baraille, Isabelle, Brown, Ross

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 959 KB

english, 2010

19

Molecular dynamics study of the nano-aggregation in asphaltene mixtures: effects of the N, O and S heteroatoms.

Santos-Silva, Hugo, Sodero, Ana Carolina Rennó, Bouyssiere, Brice, Carrier, Herve, Korb, Jean-Pierre, Alfarra, Ahmad, Vallverdu, Germain, Bégué, Didier, Baraille, Isabelle

Journal:

Year:

2016

Language:

english

File:

PDF, 4.62 MB

english, 2016

20

First-principles study of the optical properties of BeO in its ambient and high-pressure phases

David Groh, Ravindra Pandey, Munima B. Sahariah, Emilie Amzallag, Isabelle Baraille, Michel Rérat

Journal:

Journal of Physics and Chemistry of Solids

Year:

2009

Language:

english

File:

PDF, 577 KB

english, 2009

21

Discerning Inter- and Intramolecular Vibrations of Sulfur Polyaromatic Compounds

Guevara Level, Patricia, Santos-Silva, Hugo, Spillebout, Faustine, Michaelian, Kirk H., Shaw, John M., Baraille, Isabelle, Bégué, Didier

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 5.15 MB

english, 2017

22

Calculation of the low-temperature lattice specific heats of Al—Be and Al—Mg alloys

Isabelle Baraille, Claude Pouchan, Francis Marinelli, Michel Roche

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 341 KB

english, 1993

23

New Investigations on the Surface Reactivity of Layered Lithium Oxides

Andreu, Nathalie, Baraille, Isabelle, Martinez, Hervé, Dedryvère, Rémi, Loudet, Michel, Gonbeau, Danielle

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 1.92 MB

english, 2012

24

An ab initio Hartree—Fock study of electronic and structural properties of MgH2

Isabelle Baraille, Claude Pouchan, Mauro Causa, Cesare Pisani

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 643 KB

english, 1994

25

On Discerning Intermolecular and Intramolecular Vibrations in Experimental Acene Spectra

Spillebout, Faustine, Bégué, Didier, Baraille, Isabelle, Shaw, John M.

Journal:

Year:

2014

Language:

english

File:

PDF, 713 KB

english, 2014

26

, As) isomorph compounds: A DFT study

Labéguerie, Pierre, Harb, Moussab, Baraille, Isabelle, Rérat, Michel

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 277 KB

english, 2010

27

Sensitivity of Asphaltene Aggregation towards the Molecular Architecture Under Desalting Thermodynamic Conditions

Santos Silva, Hugo, Al Farra, Ahmad, Vallverdu, Germain, Bégué, Didier, Bouyssiere, Brice, Baraille, Isabelle

Journal:

Year:

2017

Language:

english

File:

PDF, 1.82 MB

english, 2017

28

Stabilization and Improvement of Energy Storage Performance of High Mass Loading Cobalt Hydroxide Electrode by Surface Functionalization

Olchowka, Jacob, Invernizzi, Ronan, Lemoine, Alexia, Allouche, Joachim, Baraille, Isabelle, Flahaut, Delphine, Guerlou-Demourgues, Liliane

Journal:

Journal of The Electrochemical Society

Year:

2020

File:

PDF, 1.82 MB

2020

29

First-principle calculation of core level binding energies of Li x PO y N z solid electrolyte

Guille, Émilie, Vallverdu, Germain, Baraille, Isabelle

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.90 MB

english, 2014

30

On the Possible Existence of a Monovalent Coordination for Nitrogen Atoms in Li x PO y N z Solid Electrolyte : Modelling of XPS and Raman Spectra

Guille, Émilie, Vallverdu, Germain, Tison, Yann, Bégué, Didier, Baraille, Isabelle

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 696 KB

english, 2015

31

Ab initio calculation of the nonlinear susceptibility Ï(2) of a crystal surface

Baraille, Isabelle, Darrigan, Clovis, RÃ©rat, Michel

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2004

File:

PDF, 78 KB

2004

32

Theoretical study of the infrared and ultraviolet spectrum of the radical F2CN

Hélène Dupin, Isabelle Baraille, Christiane Larrieu, Alain Dargelos

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 104 KB

english, 2000

33

First principle study of the surface reactivity of layered lithium oxides LiMO2 (M=Ni, Mn, Co)

Vallverdu, Germain, Minvielle, Marie, Andreu, Nathalie, Gonbeau, Danielle, Baraille, Isabelle

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 1.82 MB

english, 2016

34

Nitrile Ylides: Allenic and Propargylic Structures from Pyrazinylnitrenes. Experimental and Theoretical Characterization

Bégué, Didier, Addicott, Chris, Burgard, Riko, Bednarek, Pawel, Guille, Emilie, Baraille, Isabelle, Wentrup, Curt

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 439 KB

english, 2014

35

Polarizabilities of carbon nanotubes: Importance of the crystalline orbitals relaxation in presence of an electric field

Daniel Ehinon, Isabelle Baraille, Michel Rérat

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 611 KB

english, 2011

36

Possible Artifacts of Fluorescence of Dyes in Concentrated Materials: Comment on “Highly Fluorescent Rhodamine B Nanoparticles Entrapped in Hybrid Glasses”

Bordat, Patrice, Blanc, Sylvie, Baraille, Isabelle, Brown, Ross, Cazade, Pierre-André

Journal:

Year:

2008

Language:

english

File:

PDF, 118 KB

english, 2008

37

The role of metalloporphyrins on the physical-chemical properties of petroleum fluids

Santos Silva, Hugo, Sodero, Ana C.R., Korb, Jean-Pierre, Alfarra, Ahmad, Giusti, Pierre, Vallverdu, Germain, Bégué, Didier, Baraille, Isabelle, Bouyssiere, Brice

Journal:

Year:

2017

Language:

english

File:

PDF, 1.66 MB

english, 2017

38

Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra

Garnier, Romain, Odunlami, Marc, Le Bris, Vincent, Bégué, Didier, Baraille, Isabelle, Coulaud, Olivier

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 728 KB

english, 2016

39

Molecular Cartography of A1 and A2 Asphaltene Subfractions from Classical Molecular Dynamics Simulations

Villegas, Orlando, Salvato Vallverdu, Germain, Bouyssiere, Brice, Acevedo, SÃ³crates, Castillo, Jimmy, Baraille, Isabelle

Journal:

Year:

2020

File:

PDF, 4.83 MB

2020

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски