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1

Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals

Mohamed Zbiri, Mihail Atanasov, Claude Daul, Juan Maria Garcia-Lastra, Tomasz A. Wesolowski

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 338 KB

english, 2004

2

Vehicle–road interaction modelling for estimation of contact forces

M'sirdi, N. K., Rabhi, A., Zbiri, N., Delanne, Y.

Journal:

Vehicle System Dynamics

Année:

2005

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2005

3

Quantum Spin Liquid in Frustrated One-Dimensional

Dutton, S. E., Kumar, M., Mourigal, M., Soos, Z. G., Wen, J.-J., Broholm, C. L., Andersen, N. H., Huang, Q., Zbiri, M., Toft-Petersen, R., Cava, R. J.

Journal:

Physical Review Letters

Année:

2012

Langue:

english

Fichier:

PDF, 3.45 MB

english, 2012

4

Ground States, Excited States, and Metal—Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study.

M. Atanasov, C. Daul, H. U. Guedel, T. A. Wesolowski, M. Zbiri

Journal:

Année:

2005

Fichier:

PDF, 8 KB

2005

5

ChemInform Abstract: High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution.

Catherine F. Smura, Dinah R. Parker, Mohamed Zbiri, Mark R. Johnson, Zoltan A. Gal, Simon J. Clarke

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 23 KB

english, 2011

6

Asymmetric μ2-1,1-azido bridged copper(II) complex: Synthesis, X-ray structure, magnetic study and DFT calculations

Mohamed Zbiri, Sandip Saha, Chandan Adhikary, Siddhartha Chaudhuri, Claude Daul, Subratanath Koner

Journal:

Inorganica Chimica Acta

Année:

2006

Langue:

english

Fichier:

PDF, 202 KB

english, 2006

7

Accurate predictions of the EPR parameters in planar cobalt(II) complexes by hybrid density functional theory

Journal:

Inorganica Chimica Acta

Année:

2006

Langue:

english

Fichier:

PDF, 184 KB

english, 2006

8

Entrance channels and alpha decay half-lives of the heaviest elements

G. Royer, K. Zbiri, C. Bonilla

Journal:

Nuclear Physics A

Année:

2004

Langue:

english

Fichier:

PDF, 366 KB

english, 2004

9

The calculation of ESR parameters by density functional theory: the g- and A-tensors of Co(acacen)

Mihail Atanasov, Evert Jan Baerends, Pio Baettig, Raf Bruyndonckx, Claude Daul, Cédrick Rauzy, Mohamed Zbiri

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 432 KB

english, 2004

10

Physics process of cosmogenics 9Li and 8He production on muons interactions with carbon target in liquid scintillator

Journal:

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Année:

2008

Langue:

english

Fichier:

PDF, 251 KB

english, 2008

11

Remark on the studies of the muon-induced neutron background in the liquid scintillator detectors

Journal:

Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Année:

2010

Langue:

english

Fichier:

PDF, 158 KB

english, 2010

12

Theoretical investigation of the exciplexes

Mohamed Zbiri, Claude Daul

Journal:

Physics Letters A

Année:

2005

Langue:

english

Fichier:

PDF, 146 KB

english, 2005

13

Asymmetric fission for 70,76Se and 90,94,98Mo via quasimolecular shapes and related formulas

G. Royer, K. Zbiri

Journal:

Nuclear Physics A

Année:

2002

Langue:

english

Fichier:

PDF, 99 KB

english, 2002

14

Density functional calculations of potential energy surface and charge transfer integrals in molecular triphenylene derivative HAT6

Mohamed Zbiri, Mark R. Johnson, Gordon J. Kearley, Fokko M. Mulder

Journal:

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

Année:

2010

Langue:

english

Fichier:

PDF, 376 KB

english, 2010

15

Comparison of the dynamics of MIL-53(Cr) and MIL-47(V) frameworks using neutron scattering and DFT methods

D.I. Kolokolov, H. Jobic, A.G. Stepanov, M. Plazanet, M. Zbiri, J. Ollivier, V. Guillerm, T. Devic, C. Serre, G. Férey

Journal:

The European Physical Journal Special Topics

Année:

2010

Langue:

english

Fichier:

PDF, 532 KB

english, 2010

16

Entrance and Exit Channels for the Heaviest Elements

G. Royer, K. Zbiri, R.A. Gherghescu

Journal:

Acta Physica Hungarica Series A, Heavy Ion Physics

Année:

2002

Langue:

english

Fichier:

PDF, 164 KB

english, 2002

17

Origin of Fragments in Multifragmentation Reactions

K. Zbiri, J. Aichelin

Journal:

Acta Physica Hungarica Series A, Heavy Ion Physics

Année:

2005

Langue:

english

Fichier:

PDF, 411 KB

english, 2005

18

Full potential calculation of structural, electronic and optical properties of KMgF3

M. Sahnoun, M. Zbiri, C. Daul, R. Khenata, H. Baltache, M. Driz

Journal:

Materials Chemistry and Physics

Année:

2005

Langue:

english

Fichier:

PDF, 186 KB

english, 2005

19

Negative thermal expansion in ZnF2

Chatterji, Tapan, Zbiri, Mohamed, Hansen, Thomas C.

Journal:

Applied Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 504 KB

english, 2011

20

Phonons and colossal thermal expansion behavior of Ag 3 Co(CN) 6 and Ag 3 Fe(CN) 6

Mittal, R, Zbiri, M, Schober, H, Achary, S N, Tyagi, A K, Chaplot, S L

Journal:

Journal of Physics Condensed Matter

Année:

2012

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2012

21

High-temperature phonon spectra of multiferroic BiFeO3 from inelastic neutron spectroscopy

Zbiri, Mohamed, Schober, Helmut, Choudhury, Narayani, Mittal, Ranjan, Chaplot, Samrath L., Patwe, Sadequa J., Achary, Srungarpu N., Tyagi, Avesh K.

Journal:

Applied Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1.89 MB

english, 2012

22

Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites

Zbiri, Mohamed, Daul, Claude A., Wesolowski, Tomasz A.

Journal:

Journal of Chemical Theory and Computation

Année:

2006

Langue:

english

Fichier:

PDF, 94 KB

english, 2006

23

Ab initio lattice dynamics calculation of vibrational density of states and Raman active modes of the olivine mineral Ni 2 SiO 4

Zbiri, Mohamed, Fennell, Tom, Taylor, Jon W, Enderle, Mechthild, Lau, Garret C, Cava, Robert J, Johnson, Mark R

Journal:

Journal of Physics Condensed Matter

Année:

2008

Langue:

english

Fichier:

PDF, 906 KB

english, 2008

24

AIP Conference Proceedings [AIP SOLID STATE PHYSICS: PROCEEDINGS OF THE 57TH DAE SOLID STATE PHYSICS SYMPOSIUM 2012 - Indian Institute of Technology, Bombay, Mumbai, India (3–7 December 2012)] - Colossal thermal expansion behavior of Ag[sub 3]M(CN)[sub 6] (M=Co,Fe)

Mittal, R., Zbiri, M., Schober, H., Achary, S. N., Tyagi, A. K., Chaplot, S. L.

Année:

2013

Langue:

english

Fichier:

PDF, 897 KB

english, 2013

25

Investigating the M[sup ∗]He exciplexes, M={Li,Na,K,Rb,Cs,Fr}: Density functional approach

Zbiri, Mohamed, Daul, Claude

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 239 KB

english, 2004

26

Phonon–magnon coupling in CoF2 investigated by time-of-flight neutron spectroscopy

Chatterji, Tapan, Zbiri, Mohamed, Rols, Stephane

Journal:

Solid State Communications

Année:

2013

Langue:

english

Fichier:

PDF, 3.81 MB

english, 2013

27

Phonon dynamics and inelastic neutron scattering of sodium niobate

Mishra, S. K., Gupta, M. K., Mittal, R., Zbiri, M., Rols, S., Schober, H., Chaplot, S. L.

Journal:

Physical Review B

Année:

2014

Langue:

english

Fichier:

PDF, 1.54 MB

english, 2014

28

Pressure-Induced Intersite BiM (M=Ru, Ir) Valence Transitions in Hexagonal Perovskites

Huang, Zixin, Auckett, Josie E., Blanchard, Peter E. R., Kennedy, Brendan J., Miiller, Wojciech, Zhou, Qingdi, Avdeev, Maxim, Johnson, Mark R., Zbiri, Mohamed, Garbarino, Gaston, Marshall, William G.,

Journal:

Angewandte Chemie

Année:

2014

Langue:

english

Fichier:

PDF, 550 KB

english, 2014

29

On the Morphology of a Discotic Liquid Crystalline Charge Transfer Complex

Haverkate, Lucas A., Zbiri, Mohamed, Johnson, Mark R., Deme, Bruno, de Groot, Huub J. M., Lefeber, Fons, Kotlewski, Arkadiusz, Picken, Stephen J., Mulder, Fokko M., Kearley, Gordon J.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 2.64 MB

english, 2012

30

Benzene diffusion on graphite described by a rough hard disk model

Calvo-Almazán, I., Bahn, E., Koza, M.M., Zbiri, M., Maccarini, M., Telling, M.T.F., Miret-Artés, S., Fouquet, P.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 722 KB

english, 2014

31

Conformation, Defects, and Dynamics of a Discotic Liquid Crystal and Their Influence on Charge Transport

Haverkate, Lucas A., Zbiri, Mohamed, Johnson, Mark R., Deme, Bruno, Mulder, Fokko M., Kearley, Gordon J.

Journal:

Journal of Physical Chemistry B

Année:

2011

Langue:

english

Fichier:

PDF, 3.47 MB

english, 2011

32

Ground States, Excited States, and Metal−Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study

Atanasov, M., Daul, C., Güdel, H. U., Wesolowski, T. A., Zbiri, M.

Journal:

Inorganic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 191 KB

english, 2005

33

Correction to “Conformation, Defects, and Dynamics of a Discotic Liquid Crystal and Their Influence on Charge Transport”

Haverkate, Lucas A., Zbiri, Mohamed, Johnson, Mark R., Deme, Bruno, Mulder, Fokko M., Kearley, Gordon J.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 109 KB

english, 2012

34

High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr 2 CoO 2 Cu 2 S 2 and Ba 2 CoO 2 Cu 2 S 2 and Their Solid Solution

Smura, Catherine F., Parker, Dinah R., Zbiri, Mohamed, Johnson, Mark R., Gál, Zoltán A., Clarke, Simon J.

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 3.93 MB

english, 2011

35

: Inelastic neutron scattering and ab initio phonon calculations

Mittal, R., Gupta, M. K., Chaplot, S. L., Zbiri, M., Rols, S., Schober, H., Su, Y., Brueckel, Th., Wolf, T.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.60 MB

english, 2013

36

[IEEE 2005 IEEE International Symposium on, Mediterrean Conference on Control and Automation Intelligent Control, 2005. - Limassol, Cyprus (27-29 June 2005)] Proceedings of the 2005 IEEE International Symposium on, Mediterrean Conference on Control and Automation Intelligent Control, 2005. - Analytical redundancy techniques for faults in vehicle

Zbiri, N., Rabhi, A., M'Sirdi, N.K.

Année:

2005

Langue:

english

Fichier:

PDF, 169 KB

english, 2005

37

Electronic and vibronic properties of a discotic liquid-crystal and its charge transfer complex

Haverkate, Lucas A., Zbiri, Mohamed, Johnson, Mark R., Carter, Elizabeth, Kotlewski, Arek, Picken, S., Mulder, Fokko M., Kearley, Gordon J.

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1009 KB

english, 2014

38

and

Zbiri, Mohamed, Mutka, Hannu, Johnson, Mark R., Schober, Helmut, Payen, Christophe

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2010

39

: A combined study of ab initio calculations, magnetic Compton scattering, and polarized neutron diffraction

Qureshi, N., Zbiri, M., Rodríguez-Carvajal, J., Stunault, A., Ressouche, E., Hansen, T. C., Fernández-Díaz, M. T., Johnson, M. R., Fuess, H., Ehrenberg, H., Sakurai, Y., Itou, M., Gillon, B., Wolf, Th

Journal:

Physical Review B

Année:

2009

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2009

40

in NdFeAsO

Xiao, Y., Zbiri, M., Downie, R. A., Bos, J.-W. G., Brückel, Th., Chatterji, T.

Journal:

Physical Review B

Année:

2013

Langue:

english

Fichier:

PDF, 1.52 MB

english, 2013

41

[IEEE Proceedings of IEEE International Conference on Control and Applications CCA-94 - Glasgow, UK (1993.09.13-1993.09.16)] Proceedings of IEEE International Conference on Control and Applications CCA-94 - Application to the sensors and actuators fault detection

Année:

1994

Langue:

english

Fichier:

PDF, 340 KB

english, 1994

42

MeV

Zbiri, K., Fèvre, A. Le, Aichelin, J., Łukasik, J., Reisdorf, W., Gulminelli, F., Lynen, U., Müller, W. F. J., Orth, H., Schwarz, C., Sfienti, C., Trautmann, W., Turzó, K., Zwiegliński, B., Charvet, J

Journal:

Physical Review C

Année:

2007

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2007

43

Lattice Dynamics Modified by Excess Oxygen in Nd 2 NiO 4+δ : Triggering Low-Temperature Oxygen Diffusion

Perrichon, A., Piovano, A., Boehm, M., Zbiri, M., Johnson, M., Schober, H., Ceretti, M., Paulus, W.

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 788 KB

english, 2015

44

: High-temperature manifold of molecular configurations governing low-temperature properties

Zaharko, O., Mesot, J., Salguero, L. A., Valentí, R., Zbiri, M., Johnson, M., Filinchuk, Y., Klemke, B., Kiefer, K., Mys’kiv, M., Strässle, Th., Mutka, H.

Journal:

Physical Review B

Année:

2008

Langue:

english

Fichier:

PDF, 1.72 MB

english, 2008

45

: A combined first principles and inelastic neutron scattering study

Gupta, Mayanak Kumar, Mittal, Ranjan, Zbiri, Mohamed, Singh, Ripandeep, Rols, Stephane, Schober, Helmut, Chaplot, Samrath Lal

Journal:

Physical Review B

Année:

2014

Langue:

english

Fichier:

PDF, 1.23 MB

english, 2014

46

Phase stability of multiferroic GaFeO3 up to 1368 K from in situ neutron diffraction

Mishra, S. K., Mittal, R., Singh, Ripandeep, Zbiri, M., Hansen, T., Schober, H.

Journal:

Journal of Applied Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2013

47

from inelastic neutron scattering and ab initio calculations

Mittal, R., Zbiri, M., Schober, H., Marelli, E., Hibble, S. J., Chippindale, A. M., Chaplot, S. L.

Journal:

Physical Review B

Année:

2011

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2011

48

, 0.06, and 0.12)

Mittal, R., Zbiri, M., Rols, S., Su, Y., Xiao, Y., Schober, H., Chaplot, S. L., Johnson, M., Chatterji, T., Matsuishi, S., Hosono, H., Brueckel, Th.

Journal:

Physical Review B

Année:

2009

Langue:

english

Fichier:

PDF, 930 KB

english, 2009

49

: Measurement of the pressure and temperature dependence and comparison with ab initio and shell model calculations

Mittal, R., Rols, S., Zbiri, M., Su, Y., Schober, H., Chaplot, S. L., Johnson, M., Tegel, M., Chatterji, T., Matsuishi, S., Hosono, H., Johrendt, D., Brueckel, Th.

Journal:

Physical Review B

Année:

2009

Langue:

english

Fichier:

PDF, 588 KB

english, 2009

50

: Effect of structural phase transition, structural relaxation, and magnetic ordering

Zbiri, Mohamed, Schober, Helmut, Johnson, Mark R., Rols, Stephane, Mittal, Ranjan, Su, Yixi, Rotter, Marriane, Johrendt, Dirk

Journal:

Physical Review B

Année:

2009

Langue:

english

Fichier:

PDF, 248 KB

english, 2009