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1

Unexpected Stable Stoichiometries of Sodium Chlorides

Zhang, W., Oganov, A. R., Goncharov, A. F., Zhu, Q., Boulfelfel, S. E., Lyakhov, A. O., Stavrou, E., Somayazulu, M., Prakapenka, V. B., Konopkova, Z.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.59 MB

english, 2013

2

Atomistic investigation of Li+ diffusion pathways in the olivine LiFePO4 cathode material

Boulfelfel, S. E., Seifert, G., Leoni, S.

Journal:

Journal of Materials Chemistry

Year:

2011

Language:

english

File:

PDF, 979 KB

english, 2011

3

Hierarchical Thermoelectrics: Crystal Grain Boundaries as Scalable Phonon Scatterers

Selli, Daniele, Boulfelfel, Salah Eddine, Schapotschnikow, Philipp, Donadio, Davide, leoni, stefano

Journal:

Year:

2016

Language:

english

File:

PDF, 6.87 MB

english, 2016

4

Molecular Dynamics Investigation of Surface Resistances in Zeolite Nanosheets

Knio, Omar, Fang, Hanjun, Boulfelfel, Salah Eddine, Nair, Sankar, Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 942 KB

2020

5

Structural Preference versus Metal within the MB2C2 (M=Mg, Sc, Ca, Y, Ln) Phases: The Coloring Problem Revisited by DFT Calculations

Xavier Rocquefelte, Salah Eddine Boulfelfel, Mouna Ben Yahia, Josef Bauer, Jean-Yves Saillard, Jean-François Halet

Journal:

Angewandte Chemie

Year:

2005

Language:

english

File:

PDF, 471 KB

english, 2005

6

Structural Preference versus Metal within the MB2C2 (M=Mg, Sc, Ca, Y, Ln) Phases: The Coloring Problem Revisited by DFT Calculations

Xavier Rocquefelte, Salah Eddine Boulfelfel, Mouna Ben Yahia, Josef Bauer, Jean-Yves Saillard, Jean-François Halet

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 471 KB

english, 2005

7

Sublattice Melting by Pressure: Superionic Conduction in Low-Dimensional Phase Interfaces

Salah Eddine Boulfelfel, Dirk Zahn, Oliver Hochrein, Yuri Grin, Stefano Leoni

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2006

Language:

english

File:

PDF, 34 KB

english, 2006

8

The Role of Interfaces in Ionic Conductors and Ferroelectrics

Stefano Leoni, Salah Eddine Boulfelfel

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2008

Language:

english

File:

PDF, 35 KB

english, 2008

9

A Walk on the Chemical Landscape: The Role of B33 along the B1–B2 Phase Transition in RbF and NaBr

Dr. Stefano Leoni, Salah Eddine Boulfelfel, Igor A. Baburin

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2011

Language:

english

File:

PDF, 5.14 MB

english, 2011

10

Three-dimensional restoration of single photon emission computed tomography images

Boulfelfel, D., Rangayyan, R.M., Hahn, L.J., Kloiber, R.

Journal:

IEEE Transactions on Nuclear Science

Year:

1994

Language:

english

File:

PDF, 730 KB

english, 1994

11

Continually rising renogram without imaging of collecting system (parenchymal renal retention)

Luban Mrhac, Saad Zakko, Djamal Boulfelfel

Journal:

Seminars in Nuclear Medicine

Year:

2000

Language:

english

File:

PDF, 2.12 MB

english, 2000

12

Framework reconstruction between hR8 and cI16 germaniums: A molecular dynamics study

Selli, D., Boulfelfel, S. E., Baburin, I. A., Seifert, G., Leoni, S.

Journal:

Year:

2012

Language:

english

File:

PDF, 941 KB

english, 2012

13

Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of

Boulfelfel, Salah Eddine, Zahn, Dirk, Hochrein, Oliver, Grin, Yuri, Leoni, Stefano

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 2.30 MB

english, 2006

14

Novel sp3forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling

S. E. Boulfelfel, Q. Zhu, A. R. Oganov

Journal:

Journal of Superhard Materials

Year:

2012

Language:

english

File:

PDF, 1.40 MB

english, 2012

15

Competing intermediates in the pressure-induced wurtzite to rocksalt phase transition in ZnO

Boulfelfel, Salah Eddine, Leoni, Stefano

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 2.88 MB

english, 2008

16

Understanding the nature of “superhard graphite”

Boulfelfel, Salah Eddine, Oganov, Artem R., Leoni, Stefano

Journal:

Scientific Reports

Year:

2012

Language:

english

File:

PDF, 1.71 MB

english, 2012

17

Polarized Cluster Dynamics at the Paraelectric to Ferroelectric Phase Transition in BaTiO 3

Paściak, Marek, Boulfelfel, Salah Eddine, Leoni, Stefano

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.38 MB

english, 2010

18

Metastable host-guest structure of carbon

Zhu, Q., Feya, O. D., Boulfelfel, S. E., Oganov, A. R.

Journal:

Journal of Superhard Materials

Year:

2014

Language:

english

File:

PDF, 4.13 MB

english, 2014

19

Preconstruction restoration of myocardial single photon emission computed tomography images

Boulfelfel, D., Rangayyan, R.M., Hahn, L.J., Kloiber, R.

Journal:

IEEE Transactions on Medical Imaging

Year:

1992

Language:

english

File:

PDF, 636 KB

english, 1992

20

Two-dimensional restoration of single photon emission computed tomography images using the Kalman filter

Boulfelfel, D., Rangayyan, R.M., Hahn, L.J., Kloiber, R., Kuduvalli, G.R.

Journal:

IEEE Transactions on Medical Imaging

Year:

1994

Language:

english

File:

PDF, 680 KB

english, 1994

21

[IEEE 1990 IEEE Colloquium in South America - Argentina, Brazil, Chile, Uruguay (31 Aug.-15 Sept. 1990)] Proceedings of the 1990 IEEE Colloquium in South America - Pre-reconstruction restoration versus post-reconstruction restoration of single photon emission computed tomography images

Boulfelfel, D., Rangayyan, R.M., Hahn, L.J., Kloiber, R.

Year:

1990

Language:

english

File:

PDF, 364 KB

english, 1990

22

-Type Structures in GaN

Boulfelfel, S. E., Zahn, D., Grin, Yu., Leoni, S.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 955 KB

english, 2007

23

Novel Carbons: Habits and Oddities

Boulfelfel, Salah Eddine, Selli, Daniele, Leoni, Stefano

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2014

Language:

english

File:

PDF, 1.44 MB

english, 2014

24

7 pressure-induced phase transition in black phosphorus

Boulfelfel, Salah Eddine, Seifert, Gotthard, Grin, Yuri, Leoni, Stefano

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 795 KB

english, 2012

25

[Phys. Rev. B 74 , 094106 (2006)]

Boulfelfel, Salah Eddine, Zahn, Dirk, Hochrein, Oliver, Grin, Yuri, Leoni, Stefano

Journal:

Physical Review B

Year:

2006

File:

PDF, 19 KB

2006

26

[IEEE Conference Record of the 1991 IEEE Nuclear Science Symposium and Medical Imaging Conference - Santa Fe, NM, USA (2-9 Nov. 1991)] Conference Record of the 1991 IEEE Nuclear Science Symposium and Medical Imaging Conference - Three-dimensional restoration of single photon emission computed tomography images

Boulfelfel, D., Rangayyan, R.M., Hahn, L.J., Kloiber, R.

Year:

1991

File:

PDF, 453 KB

1991

27

Novel Computational Approaches to Li Diffusion and Electron Transport for High Capacity Battery Materials

Leoni, Stefano, Seifert, Gotthard, Craco, Luis, Boulfelfel, Salah Eddine

Journal:

MRS Proceedings

Year:

2011

Language:

english

File:

PDF, 1.39 MB

english, 2011

28

Redesign of Carbon Materials for Novel Storage, Mechanical and Optical Properties

Leoni, Stefano, Baburin, Igor A., Boulfelfel, S. E., Selli, D.

Journal:

MRS Proceedings

Year:

2012

Language:

english

File:

PDF, 375 KB

english, 2012

29

Modeling Diffusion of Linear Hydrocarbons in Silica Zeolite LTA Using Transition Path Sampling

Boulfelfel, Salah Eddine, Ravikovitch, Peter I., Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.66 MB

english, 2015

30

Use of the geometric mean of opposing planar projections in pre-reconstruction restoration of SPECT images

Boulfelfel, D, Rangayyan, R M, Hahn, L J, Kloiber, R

Journal:

Physics in Medicine and Biology

Year:

1992

Language:

english

File:

PDF, 782 KB

english, 1992

31

[IEEE 1992 14th Annual International Conference of the IEEE Engineering in Medicine and Biology Society - Paris, France (1992.10.29-1992.11.1)] Proceedings of the Annual International Conference of the IEEE Engineering in Medicine and Biology Society - Kalman restoration of SPECT images

Boulfelfel, D., Rangayyan, R. M., Hahn, L. J., Kloiber, R., Kuduvalli, G.

Year:

1992

Language:

english

File:

PDF, 164 KB

english, 1992

32

An Improved Hill-Sauer Force Field for Accurate Description of Pores in 8-Membered Ring Zeolites

Boulfelfel, Salah Eddine, Ravikovitch, Peter I., Koziol, Lucas, Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.38 MB

english, 2016

33

ChemInform Abstract: Unexpected Stable Stoichiometries of Sodium Chlorides.

Zhang, Weiwei, Oganov, Artem R., Goncharov, Alexander F., Zhu, Qiang, Boulfelfel, Salah Eddine, Lyakhov, Andriy O., Stavrou, Elissaios, Somayazulu, Maddury, Prakapenka, Vitali B., Konopkova, Zuzana

Journal:

Year:

2014

Language:

english

File:

PDF, 19 KB

english, 2014

34

ChemInform Abstract: Novel Carbons: Habits and Oddities

Boulfelfel, Salah Eddine, Selli, Daniele, Leoni, Stefano

Journal:

Year:

2014

File:

PDF, 17 KB

2014

35

Binding Affinities and Protein Ligand Complex Geometries of Some Quinolylaryl α,β-unsaturated Ketones

Hamlaoui, Ikram, Boulfelfel, Salah Eddine, Krid, Adel, Bencharif, Mustapha

Journal:

JOURNAL OF HEALTH SCIENCE

Year:

2011

Language:

english

File:

PDF, 292 KB

english, 2011

36

Mechanism of the fcc-to-hcp phase transformation in solid Ar

Li, Bingxi, Qian, Guangrui, Oganov, Artem R., Boulfelfel, Salah Eddine, Faller, Roland

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 17.05 MB

english, 2017

37

Mechanism of Polymorphic Transformations in the Chemical Elements

Boulfelfel, Salah Eddine, Selli, Daniele, Leoni, Stefano

Journal:

Acta Crystallographica Section A Foundations and Advances

Year:

2014

Language:

english

File:

PDF, 485 KB

english, 2014

38

Quantitative Predictions of Molecular Diffusion in Binary Mixed-Linker Zeolitic Imidazolate Frameworks Using Molecular Simulations

Verploegh, Ross J., Wu, Ying, Boulfelfel, Salah Eddine, Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.19 MB

english, 2018

39

Metashooting: A Novel Tool for Free Energy Reconstruction from Polymorphic Phase Transition Mechanisms

Jobbins, Samuel Alexander, Boulfelfel, Salah Eddine, leoni, stefano

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 7.75 MB

english, 2018

40

First-Principles-Derived Force Fields for CH 4 Adsorption and Diffusion in Siliceous Zeolites

Fang, Hanjun, Awati, Rohan, Boulfelfel, Salah, Ravikovitch, Peter I., Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.02 MB

english, 2018

41

Screening Diffusion of Small Molecules in Flexible Zeolitic Imidazolate Frameworks Using a DFT-Parameterized Force Field

Verploegh, Ross J., Kulkarni, Ambarish, Boulfelfel, Salah Eddine, Haydak, Jonathan C., Tang, Dai, Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

42

Significant Temperature Dependence of the Isosteric Heats of Adsorption of Gases in Zeolites Demonstrated by Experiments and Molecular Simulations

Hyla, Alexander Steven, Fang, Hanjun, Boulfelfel, Salah Eddine, Muraro, Giovanni, Paur, Charanjit S., Strohmaier, Karl G., Ravikovitch, Peter I., Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 794 KB

english, 2019

43

Determining Diffusion Coefficients of Chemical Warfare Agents in Metal–Organic Frameworks

Agrawal, Mayank, Boulfelfel, Salah E., Sava Gallis, Dorina F., Greathouse, Jeffery A., Sholl, David S.

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 486 KB

2019