Publications by authors named "Claude Lecomte"

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Synthesis and structure of 2-oxo-2-chromen-4-yl 4-bromo-benzoate: work carried out as part of the CNRS AFRAMED project.
Valentin Bationo, Konan René Kambo, Brahima Sorgho, Charles Bavouma Sombié, El Walda Thiam, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· March 2025

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2-Oxo-2-chromen-7-yl -butyl-acetate.
Hypolite Bazié, Eric Ziki, Sorgho Brahima, Veroarisinima Ratsimbazafy, Patrick Roge, Claude Lecomte

IUCrdata· March 2025

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Crystal structure of di-μ-acetato-κ :-bis{(acetato-κ ,')tetra-aqua-[1-(pyridin-2-yl-methylidene-κ)-2-(pyridin-2-yl-κ)hydrazine-κ ]lanthanum(III)} dinitrate hemihydrate.
Mbossé Ndiaye-Gueye, Bocar Traoré, Ibrahima Elhadji Thiam, Ousmane Diouf, Emmanuel Wenger, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· January 2025

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Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2-chromen-6-yl 4--butyl-benzoate: work carried out as part of the AFRAMED project.
Patrice Kenfack Tsobnang, Eric Ziki, Soso Siaka, Jules Yoda, Seham Kamal, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· February 2024

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Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride.
Seham K Abdel-Aal, Mohamed Souhassou, Pierrick Durand, Claude Lecomte, Ahmed S Abdel-Rahman

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2023

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Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO perovskite.
Iurii Kibalin, Ariste Bolivard Voufack, Mohamed Souhassou, Béatrice Gillon, Jean Michel Gillet, Claude Lecomte

Acta Crystallogr A Found Adv· March 2021

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Crystal structure of di-ammonium bis-[tris-(oxamide dioxime-κ ,')nickel(II)] bis-[tris-(oxalato-κ ,')chromate(III)] 6.76-hydrate.
Yves Alain Mbiangué, Alfred Bijvédé, Patrice Kenfack Tsobnang, Emmanuel Wenger, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· November 2020

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Hexa-aqua-nickel(II) bis-[tri-aqua-μ-oxalato-di-μ-oxalato-bariumchromate(III)] tetra-hydrate.
Yves Alain Mbiangué, Manelsa Lande Ndinga, Jean Pierre Nduga, Emmanuel Wenger, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· August 2020

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Crystal structure of a new phen-yl(morpholino)methane-thione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid.
Finagnon Hyacinthe Agnimonhan, El-Eulmi Bendeif, Léon Ahoussi Akanni, Ahokannou Fernand Gbaguidi, Eddy Martin, Claude Lecomte

Acta Crystallogr E Crystallogr Commun· April 2020

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Spin resolved electron density study of YTiO in its ferromagnetic phase: signature of orbital ordering.
Ariste Bolivard Voufack, Iurii Kibalin, Zeyin Yan, Nicolas Claiser, Saber Gueddida, Claude Lecomte

IUCrJ· September 2019

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Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Eduardo C Escudero-Adán, Antonio Bauzá, Claude Lecomte, Antonio Frontera, Pablo Ballester

Phys Chem Chem Phys· October 2018

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Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br⋯π interaction in an ebselen derivative experimental and theoretical electron-density analysis.
Rahul Shukla, Nicolas Claiser, Mohamed Souhassou, Claude Lecomte, Shah Jaimin Balkrishna

IUCrJ· September 2018

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A method to estimate statistical errors of properties derived from charge-density modelling.
Bertrand Fournier, Benoît Guillot, Claude Lecomte, Eduardo C Escudero-Adán, Christian Jelsch

Acta Crystallogr A Found Adv· May 2018

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Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO using magnetic structure factors and magnetic Compton profiles data.
Saber Gueddida, Zeyin Yan, Iurii Kibalin, Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte

J Chem Phys· April 2018

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When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.
Ariste Bolivard Voufack, Nicolas Claiser, Claude Lecomte, Sébastien Pillet, Yves Pontillon

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2017

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A theoretical-electron-density databank using a model of real and virtual spherical atoms.
Ayoub Nassour, Slawomir Domagala, Benoit Guillot, Theo Leduc, Claude Lecomte

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2017

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Experimental and theoretical charge-density analysis of 1,4-bis(5-hexyl-2-thienyl)butane-1,4-dione: applications of a virtual-atom model.
Maqsood Ahmed, Ayoub Nassour, Sajida Noureen, Claude Lecomte, Christian Jelsch

Acta Crystallogr B Struct Sci Cryst Eng Mater· February 2016

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Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges.
Piero Macchi, Jean-Michel Gillet, Francis Taulelle, Javier Campo, Nicolas Claiser, Claude Lecomte

IUCrJ· July 2015

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On atom-atom 'short contact' bonding interactions in crystals.
Claude Lecomte, Enrique Espinosa, Cherif F Matta

IUCrJ· March 2015

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Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment.
Agnieszka Poulain, Maciej Kubicki, Claude Lecomte

Acta Crystallogr B Struct Sci Cryst Eng Mater· December 2014

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XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment.
Emmanuel Wenger, Slimane Dahaoui, Paul Alle, Pascal Parois, Cyril Palin, Claude Lecomte

Acta Crystallogr B Struct Sci Cryst Eng Mater· October 2014

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Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study.
Patrice Kenfack Tsobnang, Emmanuel Wenger, Coralie Biache, John Lambi Ngolui, Siméon Ponou, Claude Lecomte

Acta Crystallogr B Struct Sci Cryst Eng Mater· October 2014

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First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments.
Maxime Deutsch, Béatrice Gillon, Nicolas Claiser, Jean-Michel Gillet, Claude Lecomte

IUCrJ· May 2014

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Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
Ayoub Nassour, Maciej Kubicki, Jonathan Wright, Teresa Borowiak, Grzegorz Dutkiewicz, Claude Lecomte

Acta Crystallogr B Struct Sci Cryst Eng Mater· April 2014

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Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole.
Agnieszka Poulain, Emmanuel Wenger, Pierrick Durand, Katarzyna N Jarzembska, Radosław Kamiński, Claude Lecomte

IUCrJ· March 2014

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