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Quasiparticle and optical properties of BeH2
S. Lebegue
,
C. M. Araujo
,
O. Eriksson
,
B. Arnaud
,
M. Alouani
et al.
Journal articles
hal-00212165v1
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White-light emitting Ruddlesden-Popper perovskites
Ashanti Bergonzoni
,
Sébastien Pillet
,
Kamel Boukheddaden
,
Aymen Yangui
,
Laurent Pedesseau
et al.
Materials Research Society Fall Meeting 2021 (MRS 2021 Fall Meeting), Nov 2021, Boston, United States
Conference papers
hal-03500125v1
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Accuracy of topological analysis of gridded electron densities
Philippe Rabiller
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Mohamed Souhassou
,
Claudine Katan
,
Carlo Gatti
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Claude Lecomte
et al.
Journal articles
hal-01417558v1
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Inter-layer charge disproportionation in the dual-layer organic metal (tTTF-I)2ClO4 with unsymmetrical I***O halogen bond interactions.
Kyoung-Soon Shin
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Olivier Jeannin
,
Mariya Brezgunova
,
Slimane Dahaoui
,
Emmanuel Aubert
et al.
Journal articles
hal-01061352v1
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N-Iodosaccharin–pyridine co-crystal system under pressure: experimental evidence of reversible twinning
Vishnu Vijayakumar-Syamala
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Emmanuel Aubert
,
Maxime Deutsch
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Emmanuel Wenger
,
Arun Dhaka
et al.
Acta Crystallographica Section B : Structural Science, Crystal Engineering and Materials [2014-..], 2022, 78, pp.436 - 449. ⟨10.1107/s2052520622002542⟩
Journal articles
hal-03688876v1
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Cubic metallic phase of aluminum hydride showing improved hydrogen desorption
R. H. Scheicher
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D. Y. Kim
,
S. Lebègue
,
Brice Arnaud
,
M. Alouani
et al.
Journal articles
hal-00724594v1
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Strong Iodine... Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions
Kyung-Soon Shin
,
Mariya Brezgunova
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Olivier Jeannin
,
Thierry Roisnel
,
Franck Camerel
et al.
Journal articles
hal-00658519v1
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Chalcogen Bonding in Co-Crystals: Activation through 1,4-Perfluorophenylene vs. 4,4 '-Perfluorobiphenylene Cores
Arun Dhaka
,
Olivier Jeannin
,
Emmanuel Aubert
,
Enrique Espinosa
,
Marc Fourmigue
et al.
Journal articles
hal-03330992v1
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On the accuracy of intermolecular interactions and charge transfer: the case of TTF-CA
Pilar García
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Slimane Dahaoui
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Claudine Katan
,
Mohamed Souhassou
,
Claude Lecomte
et al.
Journal articles
hal-01416922v1
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Numerical computation of critical properties and atomic basins from three-dimensional grid electron densities
Claudine Katan
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Philippe Rabiller
,
C. Lecomte
,
Maud Guezo
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Vincent Oison
et al.
Journal articles
hal-00517099v1
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Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory
D. Y. Kim
,
R. H. Scheicher
,
S. Lebègue
,
J. Prasongkit
,
Brice Arnaud
et al.
Proceedings of the National Academy of Sciences of the United States of America, 2008, 105 (43), pp.16454-16459. ⟨10.1073/PNAS.0804148105⟩
Journal articles
hal-00724587v1
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Structurally induced insulator-metal transition in solid oxygen: A quasiparticle investigation
Duck Young Kim
,
S. Lebègue
,
C. Moysés Araújo
,
Brice Arnaud
,
M. Alouani
et al.
Journal articles
hal-00725116v1
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Strong σ‐hole activation on icosahedral carborane derivatives for a directional halide recognition
Maxime Beau
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Sunhee Lee
,
Sooyeon Kim
,
Won-Sik Han
,
Olivier Jeannin
et al.
Journal articles
hal-02976907v1
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Activating chalcogen bonding in alkylseleno/alkyltelluro acetylenes: Helical arrangements and crystal engineering strategies
A. Dhaka
,
O. Jeannin
,
Ie-Rang Jeon
,
E. Aubert
,
E. Espinosa
et al.
Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, 77, pp.C590-C590
Journal articles
hal-03629866v1
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Arnaud, Lebègue, Rabiller, and Alouani Reply
Brice Arnaud
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S. Lebègue
,
Philippe Rabiller
,
M. Alouani
Journal articles
hal-00724592v1
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DFT study of the optoelectronic properties of 2D multilayered perovskites
Ashanti Bergonzoni
,
Xiaotong Li
,
Sébastien Pillet
,
Kamel Boukheddaden
,
Aymen Yangui
et al.
11è Journées Nationales du PhotoVoltaïque (JNPV 2021), Nov 2021, Dourdan, France
Conference poster
hal-03500365v1
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Utilisation de la RMN du solide paramagnétique pour déterminer le tenseur de susceptibilité magnétique local
Ridvan Ince
,
Nicolas Claiser
,
Mammoudou Diallo
,
Laurent Le Pollès
,
Gwendal Kervern
et al.
RMN GBP, Jun 2021, Rennes, France
Conference papers
hal-03830831v1
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Charge-Assisted Halogen Bonding: Donor–Acceptor Complexes with Variable Ionicity
Julien Lieffrig
,
Olivier Jeannin
,
Arkadiusz Fra
,
Arkadiusz Frackowiak
,
Iwona Olejniczak
et al.
Journal articles
istex
hal-01151717v1
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DFT Analysis of Low Temperature Structural Distorsions in a Series of White-Light Emitting Ruddlesden-Popper Perovskites
Ashanti Bergonzoni
,
Sébastien Pillet
,
Kamel Boukheddaden
,
Aymen Yangui
,
Laurent Pedesseau
et al.
Conference papers
hal-03500085v1
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Topochemical Polymerization of a Diacetylene in a Chalcogen-Bonded (ChB) Assembly
Arun Dhaka
,
Ie-Rang Jeon
,
Olivier Jeannin
,
Emmanuel Aubert
,
Enrique Espinosa
et al.
Journal articles
hal-03555294v1
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Neutral-ionic phase transition: A thorough ab initio study of TTF-CA
Vincent Oison
,
Claudine Katan
,
Philippe Rabiller
,
Mohamed Souhassou
,
Christiane Koenig
et al.
Journal articles
hal-00517856v1
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Understanding Reactivity and Assembly of Dichalcogenides: Structural, Electrostatic Potential, and Topological Analyses of 3 H-1,2-Benzodithiol-3-one and Selenium Analogs
R. Shukla
,
A. Dhaka
,
Emmanuel Aubert
,
V. Vijayakumar-Syamala
,
O. Jeannin
et al.
Journal articles
hal-03103464v1
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Evolution of halogen bonding interactions in a co-crystal system: X-ray diffraction under pressure in the laboratory
Vishnu Vijayakumar-Syamala
,
Maxime Deutsch
,
Emmanuel Aubert
,
Massimo Nespolo
,
Cyril Palin
et al.
Acta Crystallographica Section A : Foundations and Advances [2014-..], 2021, 77, pp.C625-C625
Journal articles
hal-03629929v1
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Molecular Magnetism : the attractive legacy of Olivier Kahn
Boris Le Guennic
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Guillaume Chastanet
,
Sébastien Pillet
,
Rodolphe Clérac
Special issue
hal-02142020v1
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Utilization of solid-state NMR to determine the local magnetic susceptibility
Ridvan Ince
,
Nicolas Claiser
,
Laurent Le Pollès
,
Thierry Guizouarn
,
Gwendal Kervern
et al.
Euromar 2022, Jul 2022, Utrecht, Netherlands
Conference papers
hal-03830780v1
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Structural and comparative study of water confined in a mesoporous bioglass by X-ray total scattering
A. Rjiba
,
J. Jelassi
,
N. Letaief
,
A. Lucas-Girot
,
Sébastien Pillet
et al.
Journal articles
hal-02886576v1
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Anisotropic thermal expansion of bismuth from first principles
Brice Arnaud
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Sébastien Lebègue
,
Guillaume Raffy
Journal articles
hal-01319977v1
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The propagation of the thermal spin transition of [Fe(btr)2(NCS)2].H2Osingle crystals, observed by optical microscopy
Francois Varret
,
Ahmed Slimani
,
K. Boukheddaden
,
Christian Chong
,
Haritosh Mishra
et al.
Journal articles
hal-00697165v1
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( S )-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer
Christophe Andre
,
Baptiste Legrand
,
Cheng Deng
,
Claude Didierjean
,
Guillaume Pickaert
et al.
Journal articles
hal-01629815v1
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Determining local magnetic susceptibility tensors in paramagnetic lanthanide crystalline powders from solid-state NMR chemical shift anisotropies
Ridvan Ince
,
Abdelatif Doudouh
,
Nicolas Claiser
,
Eric Furet
,
Thierry Guizouarn
et al.
Journal articles
hal-03988452v1
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