Par auteur: 


Recherche: 2016 (48 results)

Ahmed M., Nassour A., Noureen S., Lecomte C., Jelsch C.
Experimental and Theoretical charge density analysis of 1, 4-bis (5-hexyl-2-thienyl) butane-1,4 dione: Applications of a virtual atom model.
Acta Crystallographica, Section B: Structural Science 72 (2016) 75-86 DOI link

Alkorta I., Mata I., Molins E., Espinosa E.
Charged versus Neutral Hydrogen-Bonded Complexes: Is There a Difference in the Nature of the Hydrogen Bonds?
Chemistry: a european journal (2016) DOI link

Allé P., Wenger E., Dahaoui S., Schaniel D., Lecomte C.
Comparison of CCD, CMOS and Hybrid Pixel x-ray detectors: detection principle and data quality
Physica Scripta 91 (2016) 063001 DOI link

Angelici G., Bhattacharjee N., Roy O., Faure S., Didierjean C., Jouffret L., Jolibois F., Perrin L., Taillefumier C.
Weak backbone CH?O?C and side chain tBu?tBu London interactions help promote helix folding of achiral NtBu peptoids
Chem. Commun. 52 (2016) 4573-4576 DOI link

Arnaud B., Lebègue S., Raffy G.
Anisotropic thermal expansion of bismuth from first principles
Physical Review B 93 (2016) DOI link

Aubert E., Doudouh A., Peluso P., Mamane V.
Channels with ordered water and bipyridine molecules in the porous coordination polymer {[Cu(SiF6)(C10H8N2)2]·2C10N2H8·5H2O}n
Acta Crystallographica Section E Crystallographic Communications 72 (2016) 1654-1658 DOI link

Azevedo S., Nespolo, M.
Twinning in olivine group revisited
European Journal of Mineralogy (sous presse) DOI link

Ben Nasr M., Aubert E., Espinosa E.
A comparative study of two polymorphs of bis(1-hydroxy-2-methylpropan-2-aminium) carbonate
Acta Crystallographica Section C Structural Chemistry 72 (2016) 225-229 DOI link

Benarous N., Cherouana A., Aubert E., Durand P., Dahaoui S.
Synthesis, characterization, crystal structure and DFT study of two new polymorphs of a Schiff base (E)-2-((2,6-dichlorobenzylidene)amino)benzonitrile
Journal of Molecular Structure 1105 (2016) 186-193 DOI link

Brégier F., Aubert E., Espinosa E., Chambron J.-C.
An Optically-Pure Hemicryptophane as NMR and ECD Responsive Probe for Chloroform
ChemistrySelect 1 (2016) 2389-2395 DOI link

Bučko T., Lebègue S., Gould T., Ángyán J.
Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation
Journal of Physics: Condensed Matter 28 (2016) 045201 DOI link

Casaretto N., Fournier B., Pillet S., Bendeif E., Schaniel D., Gallien A., Klüfers P., Woike T.
Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy
18 (2016) 7260-7268 DOI link

Dobson J., Gould T., Lebègue S.
Layer response theory: Energetics of layered materials from semianalytic high-level theory
Physical Review B 93 (2016) DOI link

Elwira Chrobak, Ewa Bębenek, Monika Kadela-Tomanek, Małgorzata Latocha, Christian Jelsch, Emmanuel Wenger and Stanisław Boryczka
Betulin Phosphonates; Synthesis, Structure, and Cytotoxic Activity
Molecules 21 (2016) 1123 DOI link

Fahel J., Kim S., Durand P., André E., Carteret C.
Enhanced catalytic oxidation ability of ternary layered double hydroxides for organic pollutants degradation
Dalton Trans. (2016) DOI link

Gardiennet C., Wiegand T., Bazin A., Cadalbert R., Kunert B., Lacabanne D., Gutsche I., Terradot L., Meier B., Böckmann A.
Solid-state NMR chemical-shift perturbations indicate domain reorientation of the DnaG primase in the primosome of Helicobacter pylori
Journal of Biomolecular NMR (sous presse) DOI link

Hajj Ali H., Michaux F., Bouelet Ntsama I., Durand P., Jasniewski J., Linder M.
Shea butter solid nanoparticles for curcumin encapsulation: Influence of nanoparticles size on drug loading
European Journal of Lipid Science and Technology 118 (2016) 1168-1178 DOI link

Howard E., Guillot B., Blakeley M., Haertlein M., Moulin M., Mitschler A., Cousido-Siah A., Fadel F., Valsecchi W., Tomizaki T., Petrova T., Claudot J., Podjarny A.
High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution
IUCrJ 3 (2016) 115-126 DOI link

Ingrosso F., Altarsha M., Dumarçay F., Kevern G., Barth D., Marsura A., Ruiz-López M.
Driving forces controlling host-gyest recognition in supercritical carbon dioxide solvent
Chemistry: a european journal 22 (2016) 2972-2979 DOI link

Jacquot J.-P., Couturier J., Didierjean C., Gelhaye E., Morel-Rouhier M., Hecker A., Plomion C., Gütle D., Rouhier N.
Structural and functional characterization of tree proteins involved in redox regulation: a new frontier in forest science
Annals of Forest Science 73 (2016) 119-134 DOI link

Kim M., Kim W., Lee E., Lebègue S., Kim H.
Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids
International Journal of Quantum Chemistry 116 (2016) 598-607 DOI link

Kostin G., Mikhailov A., Kuratieva N., Tkachev S., Schaniel D., Woike T.
Reaction of [RuNO(NO2)4OH]2-with Sulfamic Acid as a Pathway to Mixed Nitro Pyridine Ruthenium Nitrosyl Complexes
European Journal of Inorganic Chemistry 2016 (2016) 4045-4053 DOI link

Lallement P.-A., Roret T., Tsan P., Gualberto J., Girardet J.-M., Didierjean C., Rouhier N., Hecker A.
Insights into ascorbate regeneration in plants: investigating the redox and structural properties of dehydroascorbate reductases from Populus trichocarpa
Biochemical Journal 473 (2016) 717-731 DOI link

Lamberts K., Handels P., Englert U., Aubert E., Espinosa E.
Stabilization of polyiodide chains via anion...anion interactions: experiment and theory
CrystEngComm 18 (2016) 3832-3841 DOI link

Mamane V., Peluso P., Aubert E., Cossu S., Pale P.
Chiral Hexahalogenated 4,4'-Bipyridines
The Journal of Organic Chemistry 81 (2016) 4576-4587 DOI link

Martin N., Deutsch M., Bert F., Andreica D., Amato A., Bonfa P., De Renzi R., Roessler U., Bonville P., Fomicheva L., Tsvyashchenko A. and Mirebeau I.
Magnetic ground state and spin fluctuations in MnGe chiral magnet as studied by muon spin rotation
Physical Review B: Condensed Matter 93 (2016) 174405 DOI link

Mesbah A., Prakash J., Rocca D., Lebègue S., Beard J., Lewis B., Ibers J.
Syntheses, crystal structure, and electronic properties of the five ABaMQ4 compounds RbBaPS4, CsBaPS4, CsBaVS4, RbBaVSe4, and CsBaVSe4
Journal of Solid State Chemistry 233 (2016) 217-220 DOI link

Meyer B., Guillot B., Ruiz-Lopez M., Genoni A.
Libraries of Extremely Localized Molecular Orbitals. 1. Model Molecules Approximation and Molecular Orbitals Transferability
Journal of Chemical Theory and Computation 12 (2016) 1052-1067 DOI link

Meyer B., Guillot B., Ruiz-Lopez M., Jelsch C., Genoni A.
Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability
Journal of Chemical Theory and Computation (2016) DOI link

Mierzwa M., Lamouroux E., Vakulko I., Durand P., Etienne M.
Electrochemistry and Spectroelectrochemistry with Electrospun Indium Tin Oxide Nanofibers
Electrochimica Acta 202 (2016) 55-65 DOI link

Milbeo P., Maurent K., Moulat L., Lebrun A., Didierjean C., Aubert E., Martinez J., Calmès M.
N-Pyrrolidine-based α/β-peptides incorporating ABOC, a constrained bicyclic β-amino acid, for asymmetric aldol reaction catalysis
Tetrahedron (2016) DOI link

Milin E., Patinec V., Triki S., Bendeif E.-E., Pillet S., Marchivie M., Chastanet G., Boukheddaden K.
Elastic Frustration Triggering Photoinduced Hidden Hysteresis and Multistability in a Two-Dimensional Photoswitchable Hofmann-Like Spin-Crossover Metal–Organic Framework
Inorganic Chemistry 55 (2016) 11652-11661 DOI link

N. Martin, M. Deutsch, J.-P. Itie, J.-P. Rueff, U. K. Roessler, K. Koepernik, L. N. Fomicheva, A. V. Tsvyashchenko and I. Mirebeau
Magnetovolume effect, macroscopic hysteresis, and moment collapse in the paramagnetic state of cubic MnGe under pressure
Physical Review B: Condensed Matter 93 (2016) 214404 DOI link

Nespolo M.
Charge distribution as a tool to investigate structural details. IV. A new route to heteroligand polyhedra
Acta Crystallographica, Section B: Structural Science 72 (2016) 51-66 PDFElectronic reprint DOI link

Nespolo M.
Unravelling the diffraction pattern of a twin. I. Fundamentals
Zeitschrift fuer Kristallographie 231 (2016) 553-560 DOI link

Nespolo M.
A practical approach to symmorphism.
Crystal Research and Technology (sous presse) DOI link

Nespolo M., Aroyo M. I.
The modular structure of pyroxenes
European Journal of Mineralogy 28 (2016) 189-203 DOI link

Nespolo M., Aroyo M.I.
The crystallographic chameleon: when space groups change skin
Acta Crystallographica, Section A: Foundations of Crystallography 72 (2016) 523-538 PDFElectronic reprint DOI link

Nespolo M., Guillot B.
CHARDI2015: Charge Distribution analysis of non-molecular structures
Journal of Applied Crystallography 49 (2016) 317-321 PDFElectronic reprint DOI link

Prakash J., Mesbah A., Beard J., Rocca D., Lebègue S., Malliakas C., Ibers J.
Two new ternary chalcogenides Ba2ZnQ3 (Q = Se, Te) with chains of ZnQ4 tetrahedra: syntheses, crystal structure, and optical and electronic properties
Zeitschrift für Naturforschung B 71 (2016) DOI link

S. Soudani a, E. Jeanneau b, C. Jelsch c, F. Lefebvre d, C. Ben Nasr
Structural, crystal structure, Hirshfeld surface analysis and physicochemical studies of a new chlorocadmate template by 1-(2-hydroxyethyl)piperazine
Journal of Molecular Structure 1123 (2016) 66-74 PDFElectronic reprint DOI link

S. Soudani, E. Jeanneau, C. Jelsch, F. Lefebvre, C. Ben Nasr
A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II)
Inorganic Chemistry Communications 70 (2016) 65-70 DOI link

Schaly A., Rousselin Y., Chambron J.-C., Aubert E., Espinosa E.
The Stereoselective Self-Assembly of Chiral Metallo-Organic Cryptophanes
European Journal of Inorganic Chemistry 2016 (2016) 832-843 DOI link

Schneider, L., Rinkel, T., Voß, B., Chrobak, A., Klare, J., Neethling, J., Olivier, J., Schaniel, D., Bendeif, E., Bondino, F., Magnano, E., Píš, I., Balinski, K., Wollschläger, J., Steinhoff, H., Haa
Characterization of multifunctional β-NaEuF4/NaGdF4 core–shell nanoparticles with narrow size distribution
Nanoscale 8 (2016) 2832-2843 DOI link

Soudani S., Ferretti V., Jelsch C., Lefebvre F., Nasr C.
. Synthesis, structural characterization,Hirshfeld surface analysis and spectroscopic studies of cadmium(II) chloride complex with 4-hydroxy-1-methylpiperidine.
Journal of Solid State Chemistry 237 (2016) 7-13 DOI link

Takouachet R., Benali-Cherif R., Bendeif E.-E., Benali-Cherif N., Pillet S., Schaniel D.
Structural analysis and IR-spectroscopy of a new anilinium hydrogenselenite hybrid compound: A subtle structural phase transition
Inorganica Chimica Acta 446 (2016) 6-12 DOI link

Voute A., Deutsch M., Kalinko A., Alabarse F., Brubach J.-B., Capitani F., Chapuis M., Ta Phuoc V., Sopracase R., Roy P.
New high-pressure/low-temperature set-up available at the AILES beamline
Vibrational Spectroscopy 86 (2016) 17-23 DOI link

Wathier L., Venet T., Thomas A., Nunge H., Bonfanti E., Cosnier F., Parietti-Winkler C., Campo P., Tsan P., Bouguet-Bonnet S., Gansmüller A.
Membrane fluidity does not explain how solvents act on the middle-ear reflex
NeuroToxicology 57 (2016) 13-21 DOI link

Critique ou vulgarisation 2016 (8 results)

Didierjean C. and Tête-Favier F.
Introduction to Protein Science. Architecture, Function and Genomics. Third Edition. By Arthur M. Lesk. Oxford University Press, 2016. Pp. 466. Paperback. Price GBP 39.99. ISBN 9780198716846.
Acta Crystallographica Section D: Structural Biology 72 (2016) 1308-1309 PDFElectronic reprint

Durand P.
Handbook of Inorganic Substances 2015. By Pierre Villars, Karin Cenzual & Roman Gladyshevskii. De Gruyter, 2015. Hardcover, Pp. XIV+1801. Price EUR 249.00, USD 349.00, GBP 186.99. ISBN 978-3-11-031113-6.
Acta Crystallographica Section C Structural Chemistry 72 (2016) 600-600 DOI link

Espinosa E.
Snow, Ice and Other Wonders of Water. A Tribute to the Hydrogen Bond. By Ivar Olovsson. World Scientific, 2016. Softcover, Pp. 124. Price GBP 13.00 ISBN 9789814749367
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 72 (2016) 930-931 PDFElectronic reprint

Nespolo M.
X-Ray Crystallography. By Gregory S. Girolami
Acta Crystallographica, Section A: Foundations of Crystallography 72 (2016) 168-170 PDFElectronic reprint DOI link

Nespolo M.
Crystallography and Mineralogy. By Kiyoshi Fujino.
Acta Crystallographica, Section B: Structural Science 72 (2016) 164-166 PDFElectronic reprint DOI link

Nespolo M.
Pyrite. A Natural History of Fool's Gold. By David Rickard.
Acta Crystallographica, Section B: Structural Science 72 (2016) 285-287 PDFElectronic reprint DOI link

Nespolo M.
Basic elements of crystallography. 2nd edition. By Nevill Gonzalez Szwacki and Teresa Szwacka
Acta Crystallographica, Section A: Foundations of Crystallography (sous presse) DOI link

Schaniel D.
Molekülsymmetrie und Spektroskopie. By Ingo-Peter Lorenz, Norbert Kuhn, Stefan Berger and Dines Christen. De Gruyter, 2015. Paperback, Pp. xvi + 244. Price EUR 49.95/USD 70.00/GBP 37.99. ISBN 978-3-11-036492-7.
Acta Crystallographica Section A Foundations and Advances 72 (2016) 456-456 DOI link