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Oxidation of methanol to formaldehyde catalyzed by V2O5. A density functional theory study
P. Boulet
,
A. Baiker
,
H. Chermette
,
F. Gilardoni
,
J.C. Volta
,
et al.
Journal of Physical Chemistry B, 2002, 106, pp.9659-9667
Article dans une revue
hal-00007184v1
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DFT calculations of electronic and transport properties of substituted Mn4Si7
A. Allam
,
P. Boulet
,
M.-C. Record
Article dans une revue
hal-01756353v1
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On the Prediction of Thermoelectric Properties of Low-Dimensional Materials by Density Functional Theory
P. Boulet
,
Marie-Christine Record
Eds.: Joseph Morin and Jean Marie Pelletier, Nova Science Publishers Density Functional Theory: Principles, Applications and Analysis, , 2013
Chapitre d'ouvrage
hal-01757699v1
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First-Principle Investigations on the Electronic and Transport Properties of PbBi2Te2X2 (X = S/Se/Te) Monolayers
Weiliang Ma
,
Jing Tian
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-03520466v1
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Skutterudites for Thermoelectric Applications: Properties, Synthesis and Modelling
R Carlini
,
C F Fanciulli
,
P. Boulet
,
M C Record
,
V V Romaka
,
et al.
Cristina Artini. Alloys and Intermetallic Compounds: From Modeling to Engineering, CRC press Taylor&Francis, 2017, 9781498741439
Chapitre d'ouvrage
hal-01483329v1
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First-principles calculations on CuInSe 2 /AlP heterostructures
Pingping Jiang
,
Marie-Christine Record
,
P. Boulet
Article dans une revue
hal-03110887v1
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Structure-Property Relationships of 2D Ga/In Chalcogenides
Pingping Jiang
,
Marie-Christine Record
,
P. Boulet
Article dans une revue
hal-03230034v1
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Computational Investigation of the Electronic and Thermoelectric Properties of Strained Bulk Mg2Si
Hilal Balout
,
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-01756350v1
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Adsorption of small uremic toxin molecules on MFI type zeolites from aqueous solution
David Bergé-Lefranc
,
H. Pizzala
,
Jean-Louis Paillaud
,
Oliver Schäf
,
Christelle Vagner
,
et al.
Adsorption - Journal of the International Adsorption Society, 2008, 14 (2-3), pp.377-387
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hal-00298333v1
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Thermoelectric Properties of Sb-S System Compounds from DFT Calculations
Hailong Yang
,
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-03229981v1
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Polycrystalline Mg2Si thin films: A theoretical investigation of their electronic transport properties
H. Balout
,
P. Boulet
,
M.-C. Record
Article dans une revue
hal-01416752v1
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Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene: an experimental and theoretical study for astrochemical applications
X. Chillier
,
P. Boulet
,
H. Chermette
,
F. Salama
,
J. Weber
Journal of Chemical Physics, 2001, 115, pp.1769-1776
Article dans une revue
hal-00007129v1
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Adsorption from aqueous solution of small uremic toxin molecules on MFI type zeolites
David Bergé-Lefranc
,
Christelle Vagner
,
Oliver Schäf
,
H. Pizzala
,
Jean-Louis Paillaud
,
et al.
9th International Conference on Fundamentals of Adsorption, May 2007, Giardini Naxos, Italy
Communication dans un congrès
hal-00161378v1
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Adsorption in cylindrical pores: Mixed lattice-site/off-site Monte Carlo simulations in pores with heterogeneous wall structure
B. Kuchta
,
Lucyna Firlej
,
P. Boulet
,
M. Marzec
Applied Surface Science, 2007, 253 (13), pp.5596-5600
Article dans une revue
hal-00548889v1
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Intercalation of p-Aminopyridine and p-Ethylenediamine Molecules into Orthorhombic In1.2Ga0.8S3 Single Crystals
Aysel B Rahimli
,
Imamaddin R Amiraslanov
,
Zakir A Jahangirli
,
Naila H Aliyeva
,
Pascal Boulet
,
et al.
Article dans une revue
hal-04046415v1
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Theoretical Investigations of the BaRh2Ge4X6 (X = S, Se, Te) Compounds
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-03563167v1
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Structural investigation of the Zn1−xCdxSb solid solution by density-functional theory approach
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
istex
hal-01756351v1
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Lychee-like TiO2@Fe2O3 Core-Shell Nanostructures with Improved Lithium Storage Properties as Anode Materials for Lithium-Ion Batteries
Yuan Chen
,
Feihong Liu
,
Yufei Zhao
,
Mengdie Ding
,
Juan Wang
,
et al.
Article dans une revue
hal-04046591v1
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Thermoelectric Properties of Sn-Containing Mg 2 Si Nanostructures
Hilal Balout
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-01483322v1
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Zéolithes – adsorbants microporeux: une solution alternative pour des reins artificiels
David Bergé-Lefranc
,
O. Schäf
,
H. Pizzala
,
Jean-Louis Paillaud
,
P. Brunet
,
et al.
4ème Journée Biologistes, Chimistes et Physiciens, Dec 2007, Marseille, France
Communication dans un congrès
hal-00335387v1
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Adsorption of small uremic toxin molecules onto zeolites: A first step towards an alternative kidney.
David Bergé-Lefranc
,
C. Vagner
,
O. Schäf
,
P. Boulet
,
H. Pizzala
,
et al.
15th International Zeolite Conference, Aug 2007, Bejing, China. pp.1015-1020
Communication dans un congrès
hal-00265935v1
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Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness
B. Kuchta
,
Lucyna Firlej
,
R. Denoyel
,
P. Boulet
,
Stéphane Rols
,
et al.
Applied Surface Science, 2007, 253, pp.5601-5605
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hal-00548893v1
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Phase formation in Mn–Si thin films during rapid thermal annealing
A. Allam
,
Pascal Boulet
,
M.-C. Record
Article dans une revue
istex
hal-01756358v1
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The reassessment of the Al-Cu and Cu-Zn systems with respect to the γ–brass phase
A. Kroupa
,
J. Vrestal
,
P. Boulet
,
A. Dinsdale
,
A. Watson
,
et al.
Article dans une revue
hal-01756429v1
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Structure–Property Relationships in Transition Metal Dichalcogenide Bilayers under Biaxial Strains
Pingping Jiang
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-03520474v1
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Modeling of adsorption of CO2 in the deformed pores of MIL-53(Al)
Ege Dundar
,
Nicolas Chanut
,
Filip Formalik
,
P. Boulet
,
Philip Llewellyn
,
et al.
Article dans une revue
hal-01741436v1
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Electron Density and Optoelectronic Properties of Copper Antimony Sulphur Ternary Compounds for Photovoltaic Applications
Mohamed Khairy
,
Pingping Jiang
,
Pascal Boulet
,
Marie-Christine Record
Article dans une revue
hal-03983411v1
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Influencing factors of atomic order in the binary sigma phase
Wei Liu
,
Xiao-Gang Lu
,
P. Boulet
,
Marie-Christine Record
Article dans une revue
hal-01741440v1
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Atomic bonding and electronic stability of the binary sigma phase
Wei Liu
,
Xiao-Gang Lu
,
Qing-Miao Hu
,
Hao Wang
,
Yi Liu
,
et al.
Article dans une revue
hal-02275609v1
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Numerical simulation of a water spray—Radiation attenuation related to spray dynamics
A. Collin
,
P. Boulet
,
G. Parent
,
David Lacroix
Article dans une revue
istex
hal-02461560v1
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