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1

Electric multipole moments of XeCuX (X = F, Cl, Br, I)

Maroulis, George, Chambaud, Gilberte

Journal:

Chemical Physics Letters

Année:

2018

Langue:

english

Fichier:

PDF, 401 KB

english, 2018

2

Adsorption of Hydrophobic and Hydrophilic Ionic Liquids at the Au(111) Surface

Kamalakannan, Shanmugasundaram, Prakash, Muthuramalingam, Chambaud, Gilberte, Hochlaf, Majdi

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 12.79 MB

english, 2018

3

Theoretical radiative lifetimes in NO+(X 1Σ+)

Gilberte Chambaud, Pavel Rosmus

Journal:

Chemical Physics Letters

Année:

1990

Langue:

english

Fichier:

PDF, 251 KB

english, 1990

4

Ro-vibronic spectrum of the N2O+ ion in the X 2Π state

Hager Gritli, Zohra Ben Lakhdar, Gilberte Chambaud, Pavel Rosmus

Journal:

Chemical Physics

Année:

1993

Langue:

english

Fichier:

PDF, 835 KB

english, 1993

5

Exploration of the NH3–H2 van der Waals interaction by high level ab initio calculations

Mirjana Mladenović, Marius Lewerenz, Geraldine Cilpa, Pavel Rosmus, Gilberte Chambaud

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 450 KB

english, 2008

6

The spin–orbit coupling in the bond formation region of the electronic ground states of , and

Isabelle Navizet, Gilberte Chambaud, Pavel Rosmus, Najia Komiha

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 229 KB

english, 2006

7

On the formation of S2O at low energies: An ab initio study

Isabelle Navizet, Najia Komiha, Roberto Linguerri, Gilberte Chambaud, Pavel Rosmus

Journal:

Chemical Physics Letters

Année:

2010

Langue:

english

Fichier:

PDF, 627 KB

english, 2010

8

Electronic absorption spectra of CCS− and CCS in neon matrices

Evgueni Riaplov, Muriel Wyss, John P Maier, Dietmar Panten, Gilberte Chambaud, Pavel Rosmus, Juergen Fabian

Journal:

Journal of Molecular Spectroscopy

Année:

2003

Langue:

english

Fichier:

PDF, 407 KB

english, 2003

9

Morphological verification of “Row nucleation” in isotactic polystyrene; evidence for single crystals within the bulk

Gilberte Chambaud, Bernard Levy, Philippe Millie

Journal:

Journal of Materials Science

Année:

1972

Langue:

english

Fichier:

PDF, 780 KB

english, 1972

10

Ab initioHartree-Fock instabilities in closed-shell molecular systems

Gilberte Chambaud, Bernard Levy, Philippe Millie

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1978

Langue:

english

Fichier:

PDF, 780 KB

english, 1978

11

Preface

Carlo Adamo, Vincenzo Barone, Gilberte Chambaud

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 410 KB

english, 2012

12

Adsorption of successive layers of H2molecules on a model copper surface: performances of second- to fifth-rung exchange-correlation functionals

Géraldine Cilpa, Jonathan Colin, Frédéric Labat, Carlo Adamo, Gilberte Chambaud

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2012

Langue:

english

Fichier:

PDF, 864 KB

english, 2012

13

Theoretical spectroscopic data for the X2B1 and A2A1 states of H2S+

Souad Lahmar, Zohra Ben Lakhdar, Gilberte Chambaud, Pavel Rosmus

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1995

Langue:

english

Fichier:

PDF, 678 KB

english, 1995

14

Theoretical study of the X2B1, A2A1 and 2B2 states of H2Se+

Souad Lahmar, Zohra Ben Lakhdar, Gilberte Chambaud

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1996

Langue:

english

Fichier:

PDF, 688 KB

english, 1996

15

Stability of the HgS molecule and spectroscopy of its low lying electronic states

Cressiot, Clement, Guitou, Marie, Mitrushchenkov, Alexander, Chambaud, Gilberte

Journal:

Molecular Physics

Année:

2007

Langue:

english

Fichier:

PDF, 206 KB

english, 2007

16

Theoretical study of the Renner-Teller Ã 2 A 1 -[Xtilde] 2 B 1 system of NH 2

Gabriel, Wolfgang, Chambaud, Gilberte, Rosmus, Pavel, Carter, Stuart, Handy, Nicholas C.

Journal:

Molecular Physics

Année:

1994

Langue:

english

Fichier:

PDF, 956 KB

english, 1994

17

Ab initioHartree-Fock instabilities in closed-shell molecular systems

Gilberte Chambaud, Bernard Levy, Philippe Millie

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1978

Langue:

english

Fichier:

PDF, 780 KB

english, 1978

18

Rovibronic spectrum of the N3 radical in the X 2Πg state

Chambaud, Gilberte, Rosmus, Pavel

Journal:

The Journal of Chemical Physics

Année:

1992

Langue:

english

Fichier:

PDF, 1.08 MB

english, 1992

19

The selective population of the vibrational levels of thioformaldehyde

Le´onard, Ce´line, Chambaud, Gilberte, Rosmus, Pavel, Carter, Stuart, Handy, Nicholas C.

Journal:

Physical Chemistry Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 189 KB

english, 2001

20

Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction

Prakash, Muthuramalingam, Mathivon, Kévin, Benoit, David M., Chambaud, Gilberte, Hochlaf, Majdi

Journal:

Physical Chemistry Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2014

21

Piezoelectric Properties of AlN, ZnO, and Hg x Zn 1− x O Nanowires by First-Principles Calculations

Mitrushchenkov, Alexander, Linguerri, Roberto, Chambaud, Gilberte

Journal:

The Journal of Physical Chemistry C

Année:

2009

Langue:

english

Fichier:

PDF, 315 KB

english, 2009

22

The potential energy surface and vibrational structure of C[sub 3]H[sup −]

Lakin, Nicholas M., Hochlaf, Majdi, Chambaud, Gilberte, Rosmus, Pavel

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 475 KB

english, 2001

23

On the radiative lifetimes of the a 3Σ+ state of NO+

Palmieri, Paolo, Tarroni, Riccardo, Chambaud, Gilberte, Rosmus, Pavel

Journal:

The Journal of Chemical Physics

Année:

1993

Langue:

english

Fichier:

PDF, 1.03 MB

english, 1993

24

Theoretical and experimental study of the A[sup 2]Π[sub u]–X[sup 2]Π[sub g] band system of C[sub 7][sup −]

Lakin, Nicholas M., Pachkov, Mikhail, Tulej, Marek, Maier, John P., Chambaud, Gilberte, Rosmus, Pavel

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 324 KB

english, 2000

25

Theoretical potential energy function and rovibronic spectrum of CO+2(X 2Πg)

Brommer, Matthias, Chambaud, Gilberte, Reinsch, Ernst-Albrecht, Rosmus, Pavel, Spielfiedel, Annie, Feautrier, Nicole, Werner, Hans-Joachim

Journal:

The Journal of Chemical Physics

Année:

1991

Langue:

english

Fichier:

PDF, 1.16 MB

english, 1991

26

Role of size and shape selectivity in interaction between gold nanoclusters and imidazole: a theoretical study

Prakash, Muthuramalingam, Chambaud, Gilberte, Al-Mogren, M. Mogren, Hochlaf, Majdi

Journal:

Journal of Molecular Modeling

Année:

2014

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2014

27

A variational method for the calculation of spin-rovibronic levels of Renner-Teller triatomic molecules

Carter, Stuart, Handy, Nicholas C., Rosmus, Pavel, Chambaud, Gilberte

Journal:

Molecular Physics

Année:

1990

Langue:

english

Fichier:

PDF, 1.03 MB

english, 1990

28

Ro-vibronic states in the electronic ground state of carbon dioxide(1+) (X2.PI.g)

Chambaud, Gilberte, Gabriel, Wolfgang, Rosmus, Pavel, Rostas, Joelle

Journal:

Journal of Physical Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.52 MB

english, 1992

29

Ab initio study of the low lying electronic states of ZnF and ZnF[sup −]

Hayashi, Shinsuke, Léonard, Céline, Chambaud, Gilberte

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 384 KB

english, 2008

30

Physisorbed H2@Cu(100) surface: Potential and spectroscopy

Bernard, Eddy, Houriez, Céline, Mitrushchenkov, Alexander O., Guitou, Marie, Chambaud, Gilberte

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2015

31

Reaction of CN− with F, Cl, O and S Atoms: Attachment or Associative Detachment?

Khiri, Dorra, Chambaud, Gilberte

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 695 KB

english, 2015

32

Suppression of nanowires clustering in hybrid energy harvesters

Pan, Chengbin, Hu, Jianchen, Hoang, Minh Tuan, Yvonnet, Julien, Mitrushchenkov, Alexander, Chambaud, Gilberte, Duan, Huilin, Grustan-Gutierrez, Enric, Lanza, Mario

Journal:

Journal of Materials Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2016

33

Energetic Diagrams and Structural Properties of Monohaloacetylenes HC≡CX (X=F, Cl, Br).

Khiri, Dorra, Hochlaf, Majdi, Chambaud, Gilberte

Journal:

Journal of Physical Chemistry A

Année:

2016

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2016

34

Fe atoms trapped on graphene as a potential efficient catalyst for room-temperature complete oxidation of formaldehyde: a first-principles investigation

Guo, Huimin, Li, Min, Liu, Xin, Meng, Changgong, Linguerri, Roberto, Han, Yu, Chambaud, Gilberte

Journal:

Catalysis Science & Technology

Année:

2017

Langue:

english

Fichier:

PDF, 2.17 MB

english, 2017

35

Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride

Liu, Xin, Zhu, Hongdan, Linguerri, Roberto, Han, Yu, Chambaud, Gilberte, Meng, Changgong

Journal:

ChemistrySelect

Année:

2017

Langue:

english

Fichier:

PDF, 4.53 MB

english, 2017

36

Driving Chemistry and Europe

Chambaud, Gilberte

Journal:

Angewandte Chemie International Edition

Année:

2017

Langue:

english

Fichier:

PDF, 570 KB

english, 2017

37

Europa und die Chemie voranbringen

Chambaud, Gilberte

Journal:

Angewandte Chemie

Année:

2017

Langue:

german

Fichier:

PDF, 528 KB

german, 2017

38

Spin-Orbit Effects in the Spectroscopy of the X 2 Π and 4 Σ − Electronic States of Carbon Iodide CI

Khiri, Dorra, Hochlaf, Majdi, Maroulis, George, Chambaud, Gilberte

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 405 KB

english, 2018

39

On the Identification of Key Intermediates During the NO and H 2 S Crosstalk Signaling Pathways

Cheraki, Mohamed, Al-Mogren, Muneerah Mogren, Chambaud, Gilberte, Francisco, Joseph S., Hochlaf, Majdi

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 676 KB

english, 2018

40

Structural and energetic properties of tautomeric forms of phosphonyl thioamides

Hanachi, Riadh, Boughdiri, Salima, Ben Said, Ridha, Chambaud, Gilberte, Hochlaf, Majdi

Journal:

Theoretica Chimica Acta

Année:

2018

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2018

41

Electronic and Vibrational Spectroscopy of CsS

Elhadj Merabti, Karim, Azizi, Sihem, Linguerri, Roberto, Chambaud, Gilberte, Al-Mogren, Muneerah Mogren, Hochlaf, Majdi

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 298 KB

english, 2018

42

Electronic and vibrational spectroscopy of the low-lying states of potassium mono-sulphide KS, and comparison in the series of MS (M = Li, Na, K, Rb, Cs)

Hendaoui, Hamza, Linguerri, Roberto, Chambaud, Gilberte, Jaidane, Nejm-Eddine, Hochlaf, Majdi

Journal:

Molecular Physics

Année:

2018

Langue:

english

Fichier:

PDF, 2.36 MB

english, 2018

43

Alkyl Methyl Imidazolium Based Ionic Liquids at Au(111) Surface: Anions and Alkyl Chain Cations Induced Interfacial Effects

Kamalakannan, Shanmugasundaram, Prakash, Muthuramalingam, Al-Mogren, Muneerah Mogren, Chambaud, Gilberte, Hochlaf, Majdi

Journal:

The Journal of Physical Chemistry C

Année:

2019

Langue:

english

Fichier:

PDF, 1.82 MB

english, 2019

44

On the Interaction of the S–Ion with H2 at low Collision Energies

Gritli, Hager, Chambaud, Gilberte, Rosmus, Pavel

Journal:

Zeitschrift für Naturforschung A

Année:

1996

Langue:

english

Fichier:

PDF, 3.56 MB

english, 1996

45

Superior Catalytic Performance of Atomically Dispersed Palladium on Graphene in CO Oxidation

Liu, Xin, Xu, Meng, Wan, Lingyun, Zhu, Hongdan, Yao, Ke Xin, Linguerri, Roberto, Chambaud, Gilberte, Han, Yu, Meng, Changgong

Journal:

Année:

2020

Fichier:

PDF, 3.21 MB

2020

46

Neutral and Multicharged Ions of Small Aluminum Oxides: Structures, Spectroscopy, and Energetics

Terzi, NeÃ¯la, Yaghlane, SaÃ¯da Ben, JaÃ¯dane, Nejm-Eddine, Chambaud, Gilberte, Hochlaf, Majdi

Journal:

Journal of Physical Chemistry A

Année:

2020

Fichier:

PDF, 2.37 MB

2020

47

Electronic structure and magnetic properties of naphthalene- and stilbene-diimide-bridged diuranium(V) complexes: a theoretical study

Boucenina, Seddik, Belkhiri, Lotfi, Meskaldji, Samir, Linguerri, Roberto, Chambaud, Gilberte, Boucekkine, Abdou, Hochlaf, Majdi

Journal:

Journal of Molecular Modeling

Année:

2020

Fichier:

PDF, 1.51 MB

2020