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C. Lecomte · SciRah

Researcher profile · Semantic Scholar

C. Lecomte

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C. Lecomte — researcher profile on SciRah

h-index: 41
Works: 434
Citations: 9,836

Most-cited papers

On atom–atom ‘short contact’ bonding interactions in crystals
C. Lecomte, E. Espinosa, C. Matta
2015IUCrJ70 citations Open access
Semantic Scholar
Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study
M. Jeffroy, E. Borissenko, A. Boutin, A. Di Lella +4 more
201150 citations
Semantic Scholar
First spin-resolved electron distributions in crystals from combined polarized neutron and X-ray diffraction experiments
M. Deutsch, B. Gillon, N. Claiser, J. Gillet +2 more
2014IUCrJ38 citations Open access
Semantic Scholar
Experimental determination of spin-dependent electron density by joint refinement of X-ray and polarized neutron diffraction data.
M. Deutsch, N. Claiser, S. Pillet, Y. Chumakov +5 more
2012Acta Crystallographica Section A Foundations of Crystallography37 citations
Semantic Scholar
R-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with Z' = 2.
A. Paul, M. Kubicki, C. Jelsch, P. Durand +1 more
2011Acta Crystallographica Section B Structural Science37 citations Open access
Semantic Scholar
Relationship between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors
Maqsood Ahmed, C. Jelsch, B. Guillot, C. Lecomte +1 more
201334 citations Open access
Semantic Scholar
Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase
M. Elias, D. Liebschner, J. Koepke, C. Lecomte +3 more
2013BMC Research Notes34 citations Open access
Semantic Scholar
Water Vapor Single-Gas Selectivity via Flexibility of Three Potential Materials for Autonomous Indoor Humidity Control
Patrice Kenfack Tsobnang, Emrah Hastürk, D. Fröhlich, E. Wenger +4 more
2019Crystal Growth & Design29 citations
Semantic Scholar
Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.
Eduardo C. Escudero-Adán, Antonio Bauzá, C. Lecomte, A. Frontera +1 more
2018Physical Chemistry, Chemical Physics - PCCP28 citations
Semantic Scholar
Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges
P. Macchi, J. Gillet, F. Taulelle, J. Campo +2 more
2015IUCrJ27 citations Open access
Semantic Scholar
Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil
K. Jarzembska, R. Kamiński, E. Wenger, C. Lecomte +1 more
201322 citations
Semantic Scholar
Charge density analysis of 2-methyl-4-nitro-1-phenyl-1H-imidazole-5-carbonitrile: an experimental and theoretical study of C≡N···C≡N interactions.
A. Paul, M. Kubicki, A. Kubas, C. Jelsch +2 more
2011Journal of Physical Chemistry A21 citations
Semantic Scholar
Studies of two lanthanide coordination polymers built up from dinuclear units
B. Benmerad, K. Aliouane, N. Rahahlia, Achoura Guehria-Laïdoudi +2 more
201320 citations
Semantic Scholar
Spin density in YTiO 3 : I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering
I. Kibalin, Z. Yan, A. B. Voufack, S. Gueddida +15 more
201719 citations
Semantic Scholar
A critical analysis of dipole-moment calculations as obtained from experimental and theoretical structure factors.
Agnieszka Poulain-Paul, A. Nassour, C. Jelsch, B. Guillot +2 more
2012Acta Crystallographica Section A Foundations of Crystallography17 citations Open access
Semantic Scholar
Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br⋯π interaction in an ebselen derivative via experimental and theoretical electron-density analysis
R. Shukla, N. Claiser, M. Souhassou, C. Lecomte +3 more
2018IUCrJ14 citations Open access
Semantic Scholar
A method to estimate statistical errors of properties derived from charge-density modelling
Bertrand Fournier, B. Guillot, C. Lecomte, Eduardo C. Escudero-Adán +1 more
2018Acta Crystallographica Section A: Foundations and Advances14 citations Open access
Semantic Scholar
When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical.
A. B. Voufack, N. Claiser, C. Lecomte, S. Pillet +7 more
2017Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials13 citations Open access
Semantic Scholar
Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2′-aminophenyl)-2-methyl-4-nitroimidazole
A. Poulain, E. Wenger, P. Durand, K. Jarzembska +4 more
2014IUCrJ13 citations Open access
Semantic Scholar
Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond.
A. Nassour, M. Kubicki, J. Wright, T. Borowiak +3 more
2014Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials11 citations Open access
Semantic Scholar
A theoretical-electron-density databank using a model of real and virtual spherical atoms.
A. Nassour, S. Domagała, B. Guillot, T. Leduc +2 more
2017Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials10 citations Open access
Semantic Scholar
Spin density in YTiO 3 : II. Momentum-space representation of electron spin density supported by position-space results
Z. Yan, I. Kibalin, N. Claiser, S. Gueddida +14 more
201710 citations
Semantic Scholar
XPAD X-ray hybrid pixel detector for charge density quality diffracted intensities on laboratory equipment.
E. Wenger, S. Dahaoui, P. Allé, P. Parois +3 more
2014Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials10 citations
Semantic Scholar
Can a formally zwitterionic rhodium(I) complex emulate the charge density of a cationic rhodium(I) complex? A combined synchrotron X-ray and theoretical charge-density study.
E. Bendeif, C. Matta, M. Stradiotto, P. Fertey +1 more
2012Inorganic Chemistry10 citations Open access
Semantic Scholar
Experimental and theoretical charge density analysis of a bromoethyl sulfonium salt.
Maqsood Ahmed, Muhammad Yar, A. Nassour, B. Guillot +2 more
2013Journal of Physical Chemistry A9 citations Open access
Semantic Scholar
A comparative study of the topology of the experimental electron density within 2 and 4e- donor alkyne complexes.
H. Nuss, N. Claiser, S. Pillet, N. Lugan +3 more
2012Dalton Transactions9 citations
Semantic Scholar
Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.
S. Gueddida, Zeyin Yan, I. Kibalin, A. B. Voufack +5 more
2018Journal of Chemical Physics8 citations Open access
Semantic Scholar
A polar/π model of interactions explains face-to-face stacked quinoid rings: a case study of the crystal of potassium hydrogen chloranilate dihydrate
K. Molčanov, J. Stare, B. Kojić-Prodić, C. Lecomte +5 more
20158 citations Open access
Semantic Scholar
Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye.
Yvon Bibila Mayaya Bisseyou, N. Bouhmaida, B. Guillot, C. Lecomte +3 more
2012Acta Crystallographica Section B Structural Science7 citations Open access
Semantic Scholar
Reversible Breathing Process and Associated Thermochromism of a Stacked-Layer Porous Supramolecular Material
Patrice Kenfack Tsobnang, J. L. Ngolui, E. Wenger, P. Durand +2 more
20176 citations
Semantic Scholar
Crystallography: A Very Short Introduction. By A. M. Glazer. Oxford University Press, 2016. Pp. 168. Price GBP 7.99. ISBN 9780198717591.
C. Lecomte
2017Acta Crystallographica Section A: Foundations and Advances5 citations Open access
Semantic Scholar
Bis(adeninium) bis(hydrogensulfate) sulfate
Fatiha Guenifa, L. Bendjeddou, Aouatef Cherouana, S. Dahaoui +1 more
2012Acta Crystallographica Section E5 citations Open access
Semantic Scholar
Crystal engineering, electron density analysis and in-situ variable temperature studies of co-crystal between nicotinic acid and gallic acid sesquihydrate
Infal Iqbal, A. Mehmood, Sajida Noureen, C. Lecomte +1 more
2023CrysteEngComm4 citations Open access
Semantic Scholar
Spin-resolved atomic orbital model refinement for combined charge and spin density analysis: application to the YTiO3 perovskite.
I. Kibalin, A. B. Voufack, M. Souhassou, B. Gillon +5 more
2021Acta Crystallographica Section A: Foundations and Advances4 citations Open access
Semantic Scholar
Spin resolved electron density study of YTiO3 in its ferromagnetic phase: signature of orbital ordering
A. B. Voufack, I. Kibalin, Zeyin Yan, N. Claiser +9 more
2019IUCrJ4 citations Open access
Semantic Scholar
A new heteroleptic oxalate-based compound: poly[[2-(aminomethyl)pyridine]di-μ6-oxalato-chromium(III)potassium(I)].
Patrice Kenfack Tsobnang, E. Wenger, S. Ponou, S. Dahaoui +2 more
2014Acta Crystallographica Section C Structural Chemistry4 citations
Semantic Scholar
l-Leucinium fluoride monohydrate
Ouahida Zeghouan, L. Bendjeddou, Aouatef Cherouana, S. Dahaoui +1 more
2012Acta Crystallographica Section E4 citations Open access
Semantic Scholar
Crystal Engineering of co-crystal of antipyrine and 2-chlorobenzoic acid: relative energetic contributions based on multipolar refinement
Aqsa Bilal, A. Mehmood, Sajida Noureen, C. Lecomte +1 more
2022CrysteEngComm3 citations
Semantic Scholar
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, A. Nassour, Sajida Noureen, C. Lecomte +1 more
2016Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials3 citations Open access
Semantic Scholar
Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment.
A. Poulain, M. Kubicki, C. Lecomte
2014Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials3 citations
Semantic Scholar
Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study.
Patrice Kenfack Tsobnang, E. Wenger, C. Biache, John Lambi Ngolui +3 more
2014Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials3 citations
Semantic Scholar
Frontier Applications of Experimental Charge Density and Electrostatics to Bio-macromolecules
C. Jelsch, S. Domagała, B. Guillot, D. Liebschner +3 more
20113 citations
Semantic Scholar
Poly[diaquadi-μ6-oxalato-μ5-oxalato-chromium(III)rubidium(I)]: a new supramolecular isomer.
H. Kherfi, M. Hamadène, Achoura Guehria-Laïdoudi, S. Dahaoui +1 more
2011Acta Crystallographica Section C: Crystal Structure Communications3 citations
Semantic Scholar
Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride.
S. Abdel-Aal, M. Souhassou, P. Durand, C. Lecomte +2 more
2023Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials2 citations
Semantic Scholar
Polymorphism in Molecular Crystals. Second Edition. By Joel Bernstein. Oxford University Press, 2020, Pp. 608, Hardcover. Price GBP 85.00. ISBN 9780199655441
C. Lecomte
20212 citations Open access
Semantic Scholar
Hexaaquanickel(II) bis[triaqua-μ3-oxalato-di-μ-oxalato-bariumchromate(III)] tetrahydrate
Y. Mbiangué, Manelsa Lande Ndinga, Jean Pierre Nduga, E. Wenger +1 more
2020Acta Crystallographica Section E: Crystallographic Communications2 citations Open access
Semantic Scholar
Poly[di-μ-aqua-diaquabis(μ7-oxalato-κ9 O 1:O 1:O 1,O 2:O 2:O 2′:O 2′,O 1′:O 1′)calciumdicaesium]
H. Kherfi, M. Hamadène, Achoura Guehria-Laïdoudi, S. Dahaoui +1 more
2013Acta Crystallographica Section E2 citations Open access
Semantic Scholar
Synthesis and crystal structure of a two-dimensional di-aqua pyromellitato strontium(II) complex: [Sr2{(OOC)2-C6H2-(COOH)2}2(H2O)2]n
F. Balegroune, A. Hammouche, Achoura Guehria-Laïdoudi, S. Dahaoui +1 more
20112 citations Open access
Semantic Scholar
Spin-resolved charge density and wavefunction refinements using MOLLYNX: a review
M. Souhassou, Iurii Kiblin, M. Deutsch, Ariste Bolivar Voufack +2 more
2021Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials1 citations Open access
Semantic Scholar
Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid
Finagnon H. Agnimonhan, E. Bendeif, Léon Ahoussi Akanni, A. Gbaguidi +3 more
2020Acta Crystallographica Section E: Crystallographic Communications1 citations Open access
Semantic Scholar

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