Directory
2012
Articles
ACS Appied Materials and Interfaces 2012, 4(5), 2369-2377.
D. Chateau, F. Chaput, C. Lopes, C. Brännlund, J. Öhgren, M. Lindgren, B. Eliasson, P. Nedelec, C. Andraud, S. Parola
"Silica hybrid sol-gel materials with unusually high concentration of Pt-organic molecular guests. Studies of luminescence and nonlinear absorption of light". DOI: 10.1021/am2015537
Angewandte Chemie, International Edition 2012, 51(27), 6622-6625.
D'Aleo, Anthony; Bourdolle, Adrien; Brustlein, Sophie; Fauquier, Teddy; Grichine, Alexei; Duperray, Alain; Baldeck, Patrice L.; Andraud, Chantal; Brasselet, Sophie; Maury, Olivier
"Ytterbium-Based Bioprobes for Near-Infrared Two-Photon Scanning Laser Microscopy Imaging".
Angewandte Chemie, International Edition 2012, 51(51), 12854-12858.
Fu, Gang; Xu, Xin; Sautet, Philippe
"Vanadium Distribution in Four-Component Mo-V-Te-Nb Mixed-Oxide Catalysts from First Principles: How to Explore the Numerous Configurations?".
Angewandte Chemie, International Edition 2012, 51(17), 4100-4103.
Kotera, Naoko; Tassali, Nawal; Leonce, Estelle; Boutin, Celine; Berthault, Patrick; Brotin, Thierry; Dutasta, Jean-Pierre; Delacour, Lea; Traore, Tenin; Buisson, David-Alexandre
"A Sensitive Zinc-Activated 129Xe MRI Probe".
Angewandte Chemie, International Edition 2012, 51(2), 504-508.
Perraud, Olivier; Robert, Vincent; Gornitzka, Heinz; Martinez, Alexandre; Dutasta, Jean-Pierre
"Combined Cation-π and Anion-π Interactions for Zwitterion Recognition".
Applied Physics A: Materials Science & Processing 2012, 106(4), 915-929.
Cuvelier, P. A.; Andraud, C.; Chaudanson, D.; Lafait, J.; Nitsche, S.
Copper red glazes: a coating with two families of particles
BUP 2012, 106(945), 685-699.
Chapellet, Laure-Lise; Martinez, Alexandre
"Unidirectionality of movement in chemistry: microscopic and macroscopic scales".
Catalysis Communications 2012, 28, 1-4.
Raytchev, Pascal Dimitrov; Roussi, Lyvie; Dutasta, Jean-Pierre; Martinez, Alexandre; Dufaud, Veronique
"Homogeneous and silica-supported azidoproazaphosphatranes as efficient catalysts for the synthesis of substituted coumarins".
ChemCatChem 2012, 4(12), 2045-2049.
Dimitrov-Raytchev, Pascal; Dutasta, Jean-Pierre; Martinez, Alexandre
"Azaphosphatrane Cations: Weak Acids, Robust Phase-transfer Catalysts".
ChemCatChem 2012, 4(8), 1048-1063.
Armbruester, Marc; Behrens, Malte; Cinquini, Fabrizio; Foettinger, Karin; Grin, Yuri; Haghofer, Andreas; Kloetzer, Bernhard; Knop-Gericke, Axel; Lorenz, Harald; Ota, Antje; Penner, Simon; Prinz, Jan; Rameshan, Christoph; Revay, Zsolt; Rosenthal, Dirk; Rupprechter, Guenther; Sautet, Philippe; Schloegl, Robert; Shao, Lidong; Szentmiklosi, Laszlo; Teschner, Detre; Torres, Daniel; Wagner, Ronald; Widmer, Roland; Wowsnick, Gregor
"How to Control the Selectivity of Palladium-based Catalysts in Hydrogenation Reactions: The Role of Subsurface Chemistry".
Chemical Communications 2012, 48 (50), 6253-6255.
"A Robust, High-Sensitivity Stealth Probe for Peptidases".
Abstract; full text via subscription
Chemical Communications 2012 48 (11), 1689–1691.
T. Gallavardin, C. Armagnat, O. Maury, M. Lindgren, P. L. Baldeck, C. Monnereau, C. Andraud"
An Improved singlet oxygen sensitizer with two-photon absorption and emission in the biological transparency window as a result of ground state symmetry-breaking".
Chemical Engineering Journal 2012, 207-208, 94-102.
Pereira de Oliveira, Luis; Verstraete, Jan J.; Kolb, Max
"A Monte Carlo modeling methodology for the simulation of hydrotreating processes".
Chemical Physics Letters 2012, 533, 82-86.
Abdoul-Carime, Hassan; Harb, Mahdi M.; Montano, Carla G.; Teyssier, Cecile; Farizon, Bernadette; Farizon, Michel; Vachon, Jerome; Harthong, Steven; Dutasta, Jean-Pierre; Jeanneau, Erwann
"Selective host-guest chemistry investigated by mass spectrometry: Which of the two, choline or acetylcholine, is the preferred one by the 3iPO triphosphonate-cavitand?".
Chemical Physics Letters 2012, 519-520, 125-129.
Verot, Martin; Borshch, Serguei A.; Robert, Vincent
"Importance of a multiconfigurational description for molecular junctions".
Chirality 2012, 24(12), 1077-1081.
Payet, Elina; Dimitrov-Raytchev, Pascal; Chatelet, Bastien; Guy, Laure; Grass, Stephane; Lacour, Jerome; Dutasta, Jean-Pierre; Martinez, Alexandre
"Absolute configuration and enantiodifferentiation of a hemicryptophane incorporating an azaphosphatrane moiety".
Computational and theoretical chemistry 2012, 990, 152.
X.J. Shen, Y. Xiao, W. Dong, X.H. Yan and H.B. Busnengo
"Molecular dynamics simulations based on reactive force-fields for surface chemical reactions".
Condensed Matter Physics 2012, 15, 23607.
M. Holovko, T. Patsahan and W. Dong
"One-dimensional hard rod fluid in a disordered porous media: scaled particle theory".
Coordination Chemistry Reviews 2012, 256(15-16), 1604-1620.
D'Aleo, Anthony; Pointillart, Fabrice; Ouahab, Lahcene; Andraud, Chantal; Maury, Olivier
"Charge transfer excited states sensitization of lanthanide emitting from the visible to the near-infra-red".
European Journal of Inorganic Chemistry 2012, 2012(6), 969-977.
Matouzenko, Galina S.; Jeanneau, Erwann; Verat, Alexander Yu.; de Gaetano, Yannick
" The Nature of Spin Crossover and Coordination Core Distortion in a Family of Binuclear Iron(II) Complexes with Bipyridyl-Like Bridging Ligands".
European Journal of Inorganic Chemistry 2012, 2012(29), 4708-4718, S4708/1-S4708/9.
Pointillart, Fabrice; Kuropatov, Viacheslav; Mitin, Alexander; Maury, Olivier; Le Gal, Yann; Golhen, Stephane; Cador, Olivier; Cherkasov, Vladimir; Ouahab, Lahcene
"Lanthanide-Based Dinuclear Complexes Involving an o-Quinone-Tetrathiafulvalene-o-Quinone Bridging Ligand: X-ray Structures, Magnetic and Photophysical Properties".
Inorganic Chemistry 2012, 51 (1), 31-33.
"Awakening of a Ferrous Complex's Electronic Spin in an Aqueous Solution Induced by a Chemical Stimulus".
Abstract; full text via subscription
Inorganic Chemistry 2012, 51 (2), 978-984.
F. Pointillart, A. Bourdolle, T. Cauchy, O. Maury, Y. Le Gal, S. Golhen, O. Cador, L. Ouahab "
In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl Antenna Ligand".
International Journal of Quantum Chemistry 2012, 112(8), 2018-2029.
Dumont Elise
"One-electron addition on short-loop selenylsulfide and diselenide-linked biomolecules: From diethyldichalcogens to Grx3-like selenopeptides".
Journal of Catalysis 2012, 289, 227-237.
Gannouni, Anis; Rozanska, Xavier; Albela, Belen; Said Zina, Mongia; Delbecq, Francoise; Bonneviot, Laurent; Ghorbel, Abdelhamid
"Theoretical and experimental investigations on site occupancy for palladium oxidation states in mesoporous Al-MCM-41 materials".
Journal of Chemical Physics 2012, 136(24), 244507/1-244507/7.
Burema, S. R.; Lorente, N.; Bocquet, M.-L.
"A theoretical rationalization of a total inelastic electron tunneling spectrum: The comparative cases of formate and benzoate on Cu(111)".
Journal of Chemical Physics 2012, 136(4), 044705/1-044705/10.
Loffreda, David; Delbecq, Francoise
"Growth of a Pt film on non-reduced ceria. A density functional theory study".
Journal of Chemical Physics, 2012, 137, 074111.
Fleurat-Lessard, P.; Michel, C.; Bulo, R. E.
"Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulations".
Journal of Chemical Theory and Computation 2012, 8(9), 3303-3313.
Chibani, Siwar; Le Guennic, Boris; Charaf-Eddin, Azzam; Maury, Olivier; Andraud, Chantal; Jacquemin, Denis
"On the Computation of Adiabatic Energies in Aza-Boron-Dipyrromethene Dyes".
Journal of Computational Chemistry 2012, 33, 2581-2589.
Hacene, M.; Anciaux-Sedrakian, A.; Rozanska, X.; Klahr, D.; Guignon T.; Fleurat-Lessard, P.
"Accelerating VASP electronic structure calculations using graphic processing units".
Journal of Inclusion Phenomena and Macrocyclic Chemistry 2012, 73, 1-4, 135-139.
W. Thabet, L. Baklouti, R. Zieba, S. Parola
"Cation binding by thiacalixthianthrenes".
Journal of Molecular Catalysis A: Chemical 2012, 363-364, 214-222.
Aloui, A.; Delbecq, F.; Sautet, P.; De Bellefon, C.
"Further insight in the minor/major concept using hydrogen pressure effect in asymmetric hydrogenation".
Journal of Organic Chemistry 2012, 77, 1351-1366.
Chéron, N.; Ramozzi, R.; El Kaim, L.; Grimaud, L.; Fleurat-Lessard, P.
"Challenging 50 years of established views on Ugi reaction: a theoretical approach".
Journal of Physical Chemistry A 2012, 116(12), 3237-3246.
Dupont, Celine; Dumont, Elise; Jacquemin, Denis
"Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV-Vis Signatures of Three-Electron Two-Center Anions".
Journal of Physical Chemistry B 2012, 116(50), 14677-14688.
Vivas, Marcelo G.; Silva, Daniel L.; De Boni, Leonardo; Bretonniere, Yann; Andraud, Chantal; Laibe-Darbour, Florence; Mulatier, J.-C.; Zalesny, Robert; Bartkowiak, Wojciech; Canuto, Sylvio
"Experimental and Theoretical Study on the One- and Two-Photon Absorption Properties of Novel Organic Molecules Based on Phenylacetylene and Azoaromatic Moieties".
Journal of Physical Chemistry B 2012, 116(27), 7898-7913.
Takacs, Zoltan; Brotin, Thierry; Dutasta, Jean-Pierre; Lang, Jan; Todde, Guido; Kowalewski, Jozef
"Inclusion of Chloromethane Guests Affects Conformation and Internal Dynamics of Cryptophane-D Host".
Journal of Physical Chemistry B 2012, 116(2), 841-851.
Enjalbert, Quentin; Racaud, Amandine; Lemoine, Jerome; Redon, Sebastien; Ayhan, Mehmet Menaf; Andraud, Chantal; Chambert, Stephane; Bretonniere, Yann; Loison, Claire; Antoine, Rodolphe
"Optical Properties of a Visible Push-Pull Chromophore Covalently Bound to Carbohydrates: Solution and Gas-Phase Spectroscopy Combined to Theoretical Investigations".
Journal of Physical Chemistry B 2012, 116(25), 7590-7595.
Abecassis, Benjamin; Lerouge, Frederic; Bouquet, Frederic; Kachbi, Souad; Monteil, Maelle; Davidson, Patrick
" Aqueous Suspensions of GdPO4 Nanorods: A Paramagnetic Mineral Liquid Crystal".
Journal of Physical Chemistry C 2012, 116(1), 834-843.
Delgado, Marco; Delbecq, Francoise; Santini, Catherine C.; Lefebvre, Frederic; Norsic, Sebastien; Putaj, Piotr; Sautet, Philippe; Basset, Jean-Marie
"Evolution of Structure and of Grafting Properties of γ-Alumina with Pretreatment Temperature".
Journal of Physical Chemistry Letters 2012, 3(20), 3007-3011.
Burema, Shiri R.; Bocquet, Marie-Laure
"Resonance Charges to Encode Selection Rules in Inelastic Electron Tunneling Spectroscopy".
Journal of Physical Chemistry Letters 2012, 3(24), 3707-3714.
Jugnet, Yvette; Loffreda, David; Dupont, Celine; Delbecq, Francoise; Ehret, Eric
"Promoter Effect of Early Stage Grown Surface Oxides: A Near-Ambient-Pressure XPS Study of CO Oxidation on PtSn Bimetallics".
Journal of Physics: Condensed Matter 2012, 24(31), 314201/1-314201/6.
Sutter, Eli; Wang, Bin; Albrecht, Peter; Lahiri, Jayeeta; Bocquet, Marie-Laure; Sutter, Peter
"Templating of arrays of Ru nanoclusters by monolayer graphene/Ru Moires with different periodicities".
Journal of the American Chemical Society 2012, 134(8), 3655-3658.
Ayhan, Mehmet Menaf; Singh, Anu; Hirel, Catherine; Gurek, Ayse Gul; Ahsen, Vefa; Jeanneau, Erwann; Ledoux-Rak, Isabelle; Zyss, Joseph; Andraud, Chantal; Bretonniere, Yann
"ABAB Homoleptic Bis(phthalocyaninato)lutetium(III) Complex: Toward the Real Octupolar Cube and Giant Quadratic Hyperpolarizability".
Journal of the American Chemical Society 2012, 134(15), 6767-6775.
Kerber, Rachel Nathaniel; Kermagoret, Anthony; Callens, Emmanuel; Florian, Pierre; Massiot, Dominique; Lesage, Anne; Coperet, Christophe; Delbecq, Francoise; Rozanska, Xavier; Sautet, Philippe
"Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations".
Journal of the American Chemical Society 2012, 134(4), 2111-9.
Garrec Julian; Patel Chandan; Rothlisberger Ursula; Dumont Elise
"Insights into intrastrand cross-link lesions of DNA from QM/MM molecular dynamics simulations".
Journal of the American Chemical Society 2012, 134(35), 14430-49.
Wischert Raphael; Laurent Pierre; Coperet Christophe; Delbecq Francoise; Sautet Philippe
"GAMMA-Alumina: the essential and unexpected role of water for the structure, stability, and reactivity of "defect" sites".
Nanoscale 2012, 4(15), 4687-4693.
Wang, Bin; Bocquet, Marie-Laure
"Interfacial coupling in rotational monolayer and bilayer graphene on Ru(0001) from first principles".
Nanotechnology 2012 23(14), 145707/1-145707/8.
J. R.G. Navarro, D. Manchon, F. Lerouge, E. Cottancin, J. Lermé, C. Bonnet, F. Chaput, A. Mosset, M. Pellarin, S. Parola
"Synthesis, electron tomography and single particle optical response of twisted gold nano-bipyramids".
Nanotechnology 2012, 23(31), 315702/1-315702/10.
Burema, S. R.; Bocquet, M.-L.
"Sensitizers in inelastic electron tunneling spectroscopy: a first-principles study of functional aromatics on Cu(111)".
Nanotechnology 2012, 23(46), 465602.
Navarro Julien R G; Manchon Delphine; Lerouge Frederic; Blanchard Nicholas P; Marotte Sophie; Leverrier Yann; Marvel Jacqueline; Chaput Frederic; Micouin Guillaume; Gabudean Ana-Maria; Mosset Alexis; Cottancin Emmanuel; Baldeck Patrice L; Kamada Kenji; Parola Stephane
"Synthesis of PEGylated gold nanostars and bipyramids for intracellular uptake"?
New Journal of Chemistry 2012, 36(3), 768-773.
Q. Bellier, F. Dalier, E. Jeanneau, O. Maury, C. Andraud"
Thiophene-Substituted Aza-Bodipy as Strategic Synthon for the Design of Near-Infrared Dyes".
DOI. 10.1039/C2NJ20943H
New Journal of Chemistry 2012, 36, 1137-1140.
Ramozzi, R.; Chéron, N.; Braïda, B.; Hiberty, P. C.; Fleurat-Lessard, P.
" A Valence Bond view of isocyanides'electronic structure".
New Journal of Chemistry 2012, 36(9), 1707-1712.
Hasserodt, Jens
"Magnetogenic probes that respond to chemical stimuli in an off-on mode".
New Journal of Chemistry 2012, 36(11), 2328-2333.
Monnereau, Cyrille; Marotte, Sophie; Lanoe, Pierre-Henri; Maury, Olivier; Baldeck, Patrice L.; Kreher, David; Favier, Arnaud; Charreyre, Marie-Therese; Marvel, Jacqueline; Leverrier, Yann
"Water-soluble chromophores with star-shaped oligomeric arms: synthesis, spectroscopic studies and first results in bio-imaging and cell death induction".
Nonlinear Optics, Quantum Optics 2012, 45(1-2), 141-151.
Philippot, Cecile; Dubois, Fabien; Bourdolle, Adrien; Maury, Olivier; Boury, Bruno; Andraud, Chantal; Ibanez, Alain
"Core-shell and doped silicate nanoparticles prepared by a spray-drying process for the development of biological luminescent tracers".
Nonlinear Optics, Quantum Optics 2012, 44(2-3), 121-128.
Gallavardin, Thibault; Maurin, Mathieu; Baldeck, Patrick L.; Stephan, Olivier; Lindgren, Mikael; Lerouge, Frederic; Parola, Stephane; Maury, Olivier; Andraud, Chantal
"A dibromobenzene derivative for photodynamic therapy".
Optics express 2012, 20(17), 18600-8.
Vivas M G; De Boni L; Bretonniere Y; Andraud C; Mendonca C R
"Polarization effect on the two-photon absorption of a chiral compound"
Organic and Biomolecular Chemistry 2012, 10(31), 6275-6278.
Lanoe, Pierre-Henri; Gallavardin, Thibault; Dupin, Aurore; Maury, Olivier; Baldeck, Patrice L.; Lindgren, Mikael; Monnereau, Cyrille; Andraud, Chantal
"Influence of bromine substitution pattern on the singlet oxygen generation efficiency of two-photon absorbing chromophores".
Organic and Biomolecular Chemistry 2012, 10(5), 1056-1059.
Perraud, Olivier; Lefevre, Sara; Robert, Vincent; Martinez, Alexandre; Dutasta, Jean-Pierre
"Hemicryptophane host as efficient primary alkylammonium ion receptor".
Physical Chemistry Chemical Physics 2012, 14, 157-164.
B. Le Guennic, O. Maury, D. Jacquemin
"Aza-Boron-Dipyrromethene Dyes: TD-DFT Benchmarks, Spectral Analysis and Design of Near-IR Structures".
Physical Chemistry Chemical Physics 2012, 14(44), 15299-15307.
Bellier, Quentin; Makarov, Nikolay S.; Bouit, Pierre-Antoine; Rigaut, Stephane; Kamada, Kenji; Feneyrou, Patrick; Berginc, Gerard; Maury, Olivier; Perry, Joseph W.; Andraud, Chantal
"Excited state absorption: a key phenomenon for the improvement of biphotonic based optical limiting at telecommunication wavelengths".
Physical Chemistry Chemical Physics 2012, 14(10), 3369-3380.
Trinh, Thuat T.; Rozanska, Xavier; Delbecq, Francoise; Sautet, Philippe
"The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template".
Physical Chemistry Chemical Physics, 2012, 14, 7170-7175.
Chéron, N.; Jacquemin, D.; Fleurat-Lessard, P.
"A qualitative failure of B3LYP for textbook organic reactions".
Physical Chemistry Chemical Physics 2012, 14(44), 15286-15290.
Michel, Carine; Goeltl, Florian; Sautet, Philippe
"Early stages of water/hydroxyl phase generation at transition metal surfaces - synergetic adsorption and O-H bond dissociation assistance".
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics 2012, 86(2-1), 021502/1-021502/14.
Lang, Simon; Schilling, Rolf; Krakoviack, Vincent; Franosch, Thomas
"Mode-coupling theory of the glass transition for confined fluids".
full text
Polymer Chemistry 2012, 3(10), 2723-2726.
Appukuttan, Vinu Krishnan; Dupont, Anais; Denis-Quanquin, Sandrine; Andraud, Chantal; Monnereau, Cyrille
"Mild and efficient bromination of poly(hydroxyethyl acrylate) and its use towards ionic-liquid containing polymers".
Topics in Catalysis 2012, 55(7-10), 474-479.
Auneau, Florian; Arani, Leila Sadr; Besson, Michele; Djakovitch, Laurent; Michel, Carine; Delbecq, Francoise; Sautet, Philippe; Pinel, Catherine
"Heterogeneous Transformation of Glycerol to Lactic Acid."
Books
Sautet, Philippe 2012. Quantum chemistry methods. In Characterization of Solid Materials and Heterogeneous Catalysts. Eds. Che, Michael; Vedrine, Jacques C, 2, 1119-1145.
Patents
"New Iron complexes adapted for chimical or biochemical nitroreductase detection, in particular by MRI, in vivo or in vitro detection" (French patent FR12574213, 2012)