Département de chimie physique

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2017

Scientific Articles

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A biocompatible macromolecular two-photon initiator based on hyaluronanTromayer, Maximilian; Gruber, Peter; Markovic, Marica; Rosspeintner, Arnulf; ... Liska, Robert
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A highly stable sodium solid-state electrolyte based on a dodeca/deca-borate equimolar mixtureDuchene, Léo; Kühnel, R.-S.; Rentsch, D.; Remhof, A.; ... Battaglia, C.
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A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine ComplexesPhan, Hoa; Hrudka, Jeremy J.; Igimbayeva, Dilyara; Lawson Daku, Latevi Max; Shatruk, Michael
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A simple model of solvent-induced symmetry-breaking charge transfer in excited quadrupolar moleculesIvanov, Anatoly I.; Dereka, Bogdan; Vauthey, Eric;
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An alternative approach to the synthesis of NaB3H8 and Na2B12H12 for solid electrolyte applicationsMoury, Romain Yves; Gigante, Angelina; Hagemann, Hans-Rudolf;
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Artificial tubular connections between cells based on synthetic lipid nanotubesKozintsev, Alexander; Sugihara, Kaori;
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Au38Cu1(2-PET)24 nanocluster: synthesis, enantioseparation and luminescenceKazan, Rania; Zhang, Bei; Buergi, Thomas;
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Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)2, CB9H10 and CB11H12Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf;
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Direct local solvent probing by transient infrared spectroscopy reveals the mechanism of hydrogen-bond induced nonradiative deactivationDereka, Bogdan; Vauthey, Eric;
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Exploring Fluorescent Dyes at Biomimetic Interfaces with Second Harmonic Generation and Molecular DynamicsLicari, Giuseppe Léonardo; Cwiklik, Lukasz; Jungwirth, Pavel; Vauthey, Eric;
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Kinetic Resolution of 2-Substituted Indolines by N-Sulfonylation using an Atropisomeric 4-DMAP-N-oxide OrganocatalystMurray, James I.; Flodén, Nils J.; Bauer, Adriano; Fessner, Nico D.; ... Spivey, Alan C.
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Looking at Photoinduced Charge Transfer Processes in the IR: Answers to Several Long-Standing QuestionsDereka, Bogdan; Koch, Marius; Vauthey, Eric;
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Mapping Infrared Enhancement around Gold Nanoparticles Using PolyelectrolytesGhosh, Harekrishna; Buergi, Thomas;
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Mechanosensitivity of polydiacetylene with a phosphocholine headgroupOrtuso, Roberto Diego; Cataldi, Ugo; Sugihara, Kaori;
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Original oxo-centered bismuth oxo-arsenates; critical effect of PO4 for AsO4 substitutionOlchowka, Jacob; Colmont, M.; Aliev, A.; Tran, T. Thao; ... Mentré, O.
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Probe dependence on polar solvation dynamics from fs broadband fluorescenceKumpulainen, Tatu Samuli; Rosspeintner, Arnulf; Vauthey, Eric;
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Reorientational Hydrogen Dynamics in Complex Hydrides with Enhanced Li+ ConductionBurankova, Tatsiana; Duchene, Léo; Łodziana, Zbigniew; Frick, Bernhard; ... Embs, Jan P.
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Search for Electron Delocalization from [Fe(CN)6]3- to the Dication of Viologen in (DNP)3[Fe(CN)6]2 · 10H2OAbouelwafa, Ahmed; Hauser, Andreas; Mereacre, Valeriu; Lan, Yanhua; ... Powell, Annie K.
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Simulations of the Ultrafast Transient Absorption Dynamics of a Donor–Acceptor Biaryl in SolutionFedunov, Roman G.; Plotnikova, Anastasiia V.; Ivanov, Anatoly I.; Vauthey, Eric;
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Solute–Solvent Interactions and Excited-State Symmetry Breaking: Beyond the Dipole–Dipole and the Hydrogen-Bond InteractionsDereka, Bogdan; Vauthey, Eric;
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Structural Investigation of the Ligand Exchange Reaction with Rigid Dithiol on Doped (Pt, Pd) Au25 ClustersSels, Annelies; Salassa, Giovanni; Pollitt, Stephan; Guglieri, Clara; ... Buergi, Thomas
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Triggering Emission with the Helical Turn in Thiadiazole-HelicenesBiet, Thomas; Martin, Kévin; Hankache, Jihane; Hellou, Nora; ... Avarvari, Narcis
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Triplet state CPL active helicene–dithiolene platinum bipyridine complexesBiet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; ... Avarvari, Narcis
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Ultrafast Elementary Photochemical Processes of Organic Molecules in Liquid SolutionKumpulainen, Tatu Samuli; Lang, Bernhard Felix; Rosspeintner, Arnulf; Vauthey, Eric;
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Ultrafast transient IR spectroscopy and DFT calculations of ruthenium(II) polypyridyl complexesSun, Qinchao; Dereka, Bogdan; Vauthey, Eric; Lawson Daku, Latevi Max; Hauser, Andreas

Doctoral Thesis

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Computing excited state properties of chromophores: a challenge for the computational chemistHumbert-Droz, Marie;
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Critical evaluation of the effect of anharmonicity and dispersion interactions using density functional theory on structural and spectroscopic properties of selected inorganic compoundsSethio, Daniel;
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Excited-state dynamics in electron-donor-acceptor systems of increasing complexityYushchenko, Oleksandr;
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Experimental and theoretical studies of boron and hydrogen containing compounds in relation to potential hydrogen storage and ionic conduction applicationsSharma, Manish;
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Structural investigation of the High-Spin→Low-Spin relaxation dynamics in spin crossover compoundsDelgado Perez, Maria Teresa;

2016

Scientific Articles

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A theoretical study of the spectroscopic properties of B2H6 and of a series of BxHyz- species (x = 1-12, y = 3-14, z = 0-2): From BH3 to B12H122-Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf;
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Characterization of Dimethylsulfoxide / Glycerol Mixtures: A Binary Solvent System for the Study of "Friction-Dependent" Chemical ReactivityAngulo Nunez, Gonzalo Manuel; Brucka, Anna; Gerecke, Mario; Grampp, Günter; ... Wnuk, Paweł
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Combined Electrical and Optical Characterization of PolydiacetyleneGirard-Reydet, Clement; Ortuso, Roberto; Tsemperouli, Maria; Sugihara, Kaori;
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Comment on "Observation of the Marcus Inverted Region for Bimolecular Photoinduced Electron-Transfer Reactions in Viscous Media"Angulo Nunez, Gonzalo Manuel; Rosspeintner, Arnulf; Koch, Marius; Vauthey, Eric;
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Configurationally Stable Doubly Bridged Biphenyl Azocines through Copper-Catalyzed Double Carbene Insertions into the Corresponding AzepinesHarthong, Steven; Brun, Elodie; Grass, Stéphane; Besnard, Céline; ... Lacour, Jérôme
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Control of the plasmonic resonance of a graphene coated plasmonic nanoparticle array combined with a nematic liquid crystalDe Sio, Luciano; Cataldi, Ugo; Buergi, Thomas; Tabiryan, Nelson; Bunning, Timothy J.
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Cooperative enhancement versus additivity of two-photon-absorption cross sections in linear and branched squaraine superchromophoresCeymann, Harald; Rosspeintner, Arnulf; Schreck, Maximilian H.; Mützel, Carina; ... Lambert, Christoph
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Direct Visualization of Excited-State Symmetry Breaking Using Ultrafast Time-Resolved Infrared SpectroscopyDereka, Bogdan; Rosspeintner, Arnulf; Li, Zhiquan; Liska, Robert; Vauthey, Eric
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Directional Energy Transfer in Nanocrystals of [Ru(2,2′-bipyridine)3]­[NaCr(oxalate)3]Previtera, Elia; Tissot, Antoine Michel; Hauser, Andreas;
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Doping Silver Increases the Au38(SR)24 Cluster Surface FlexibilityZhang, Bei; Buergi, Thomas;
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Electron transfer across the germanium–polyelectrolyte–gold nanoparticle interface: convenient detection and applications in sensingGhosh, Harekrishna; Bouhekka, Ahmed; Buergi, Thomas;
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Femtosecond broadband fluorescence upconversion spectroscopy: Spectral coverage versus efficiencyGerecke, Mario; Bierhance, Genaro; Gutmann, Michael; Ernsting, Nikolaus P.; Rosspeintner, Arnulf
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First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second orderPrager, Stefan; Zech, Alexander; Aquilante, Francesco; Dreuw, Andreas; Wesolowski, Tomasz Adam
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Fluorescence quantum yield rationalized by the magnitude of the charge transfer in π-conjugated terpyridine derivativesHumbert-Droz, Marie; Piguet, Claude; Wesolowski, Tomasz Adam;
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Fluorescent DNA probes at liquid/liquid interfaces studied by surface second harmonic generationLicari, Giuseppe Léonardo; Brevet, Pierre-François; Vauthey, Eric;
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Frozen-density embedding theory with average solvent charge densities from explicit atomistic simulationsLaktionov, Andréy; Chalaye, Emilie; Wesolowski, Tomasz Adam;
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Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red rangeHernandez Delgado, Irene; Pascal, Simon; Wallabregue, Antoine; Duwald, Romain; ... Lacour, Jérôme
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Gold Nanowire Fabrication with Surface-Attached Lipid Nanotube TemplatesJajcevic, Kristina; Chami, Mohamed; Sugihara, Kaori;
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Halide Free M(BH4)2 (M = Sr, Ba, and Eu) Synthesis, Structure, and DecompositionSharma, Manish; Didelot, Emilie Yvonne Jeanne; Spyratou Stratmann, Alexandra; Lawson Daku, Latevi Max; ... Hagemann, Hans-Rudolf
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Homogeneity properties of the embedding potential in frozen-density embedding theoryZech, Alexander; Aquilante, Francesco; Wesolowski, Tomasz Adam;
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In Situ ATR-FTIR Investigation of Photodegradation of 3,4-Dihydroxybenzoic Acid on TiO2Hu, Xuefeng; Buergi, Thomas;
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Investigation of the thin film crystallization of a DNA copolymer hybrid composed of chitosanSafir, Ilyes; Chami, Mohamed; Buergi, Thomas; Nardin, Corinne;
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Isolation of atomically precise mixed ligand shell PdAu24 clustersSels, Annelies; Barrabes Rabanal, Noëlia; Knoppe, Stefan; Buergi, Thomas;
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Looking for the Origin of Allosteric Cooperativity in MetallopolymersBabel, Lucille; Hoang, Thi Nhu Y; Guenee, Laure; Besnard, Céline; ... Piguet, Claude
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Optical control of plasmonic heating effects using reversible photo-alignment of nematic liquid crystalsPalermo, Giovanna; Cataldi, Ugo; De Sio, Luciano; Buergi, Thomas; ... Umeton, Cesare
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Photoinduced Electron Transfer in an Anthraquinone–[Ru(bpy)3]2+ –Oligotriarylamine–[Ru(bpy)3]2+–Anthraquinone PentadBonn, Annabell G.; Yushchenko, Oleksandr; Vauthey, Eric; Wenger, Oliver S.;
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Physicochemical and Electronic Properties of Cationic [6]Helicenes: from Chemical and Electrochemical Stabilities to Far-Red (Polarized) LuminescenceBosson, Johann; Labrador Beltran, Maria Géraldine; Pascal, Simon; Miannay, François-Alexandre; ... Lacour, Jérôme
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Reaction Pathways in Ca(BH4)2–NaNH2 and Mg(BH4)2–NaNH2 Hydrogen-Rich SystemsMorelle, Fabrice; Jepsen, Lars H.; Jensen, Torben R.; Sharma, Manish; ... Filinchuk, Yaroslav
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Resonance Raman Optical Activity Spectra of Single-Walled Carbon Nanotube EnantiomersMagg, Martin; Kadria-Vili, Yara; Oulevey, Patric; Weisman, R. Bruce; Buergi, Thomas
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Room Temperature Magnetic Switchability Assisted by Hysteretic Valence Tautomerism in a Layered Two-Dimensional Manganese-Radical Coordination FrameworkLannes, Anthony; Suffren, Yan Jonathan Mathieu; Tommasino, Jean Bernard; Chiriac, Rodica; ... Luneau, Dominique
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Selective Imaging of Late Endosomes with a pH-Sensitive Diazaoxatriangulene Fluorescent ProbeWallabregue, Antoine; Moreau, Dimitri; Sherin, Petr; Moneva Lorente, Pau; ... Lacour, Jérôme
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Self-assembled Lipid Structures as Model Systems for Studying Electrical and Mechanical Properties of Cell MembranesSugihara, Kaori;
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Silver migration between Au38 (SC2H4 Ph)24 and doped AgxAu38−x(SC2H4Ph)24 nanoclustersZhang, Bei; Salassa, Giovanni; Buergi, Thomas;
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Study of switching in spin transition compounds within the mechanoelastic model with realistic parametersEnachescu, Cristian; Hauser, Andreas;
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Symmetry Breaking in Chiral Ionic Liquids Evidenced by Vibrational Optical ActivityOulevey, Patric; Luber, Sandra; Varnholt, Birte; Buergi, Thomas;
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Symmetry-Breaking Charge Transfer and Hydrogen Bonding: Toward Asymmetrical PhotochemistryDereka, Bogdan; Rosspeintner, Arnulf; Krzeszewski, Maciej; Gryko, Daniel T.; Vauthey, Eric
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Taming Lanthanide-Centered Upconversion at the Molecular LevelSuffren, Yan Jonathan Mathieu; Golesorkhi, Bahman; Zare, Davood; Guenee, Laure; ... Piguet, Claude
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Thermal and concentration dependent energy transfer of Eu2+ in SrAl2O4Bierwagen, Jakob; Yoon, S.; Gartmann, N.; Walfort, B.; Hagemann, Hans-Rudolf
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Twisted and tubular silica structures by anionic surfactant fibers encapsulationChekini, Mahshid; Guenee, Laure; Marchionni, Valentina; Sharma, Manish; Buergi, Thomas
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Vibrational Coupling Modulation in n-Alkanethiolate Protected Au25(SR)180 ClustersVarnholt, Birte; Guberman-Pfeffer, Matthew J.; Oulevey, Patric; Antonello, Sabrina; ... Maran, Flavio
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Wavelength dependent loading of traps in the persistent phosphor SrAl2O4:Eu2+, Dy3+Hagemann, Hans-Rudolf; Lovy, Dominique; Yoon, Seock Jun; Pokrant, S.; ... Bierwagen, Jakob

Book Chapters

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Spectroscopy and Chemical Bonding in Transition Metal ComplexesHauser, Andreas; Reber, Christian;

Doctoral Thesis

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Enhanced IR signal from metal nanoparticle-polyelectrolyte-germanium composites: An in situ ATR-IR studyGhosh, Harekrishna;
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Large-scale self-assembled plasmonic templates for enhanced spectroscopyChekini, Mahshid;
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Spectroscopic investigation of ligand-gold interactions in monolayer protected gold clustersVarnholt, Birte;
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Study of the photochemical and photophysical properties of ruthenium(II) and rhenium(I) complexesSun, Qinchao;
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Study of the size-reduction effect on the photophysical properties of [Ru(bpy)3][NaCr(ox)3] nano-crystals and functionalization of their surfacePrevitera, Elia;
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Thiolate protected gold nanoclusters: heteroatom doping and catalysisZhang, Bei;

2015

Scientific Articles

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A Mild and Efficient CH2-Extrusion Reaction for the Enantiospecific Synthesis of Highly Configurationally Stable Tröger BasesPujari, Sandip A.; Besnard, Céline; Buergi, Thomas; Lacour, Jérôme;
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Access to enantioenriched 2,3- and 2,5-dihydrofurans with a fully substituted C2 stereocenter by Pd-catalyzed asymmetric intermolecular Heck reactionBorrajo Calleja, Gustavo; Bizet, Vincent; Buergi, Thomas; Mazet, Clement;
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Analysis of first order reversal curves in the thermal hysteresis of spin-crossover nanoparticles within the mechanoelastic modelStoleriu, Laurentiu; Stancu, Alexandru; Chakraborty, Pradip; Hauser, Andreas; Enachescu, Cristian
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Bimodal Exciplex Formation in Bimolecular Photoinduced Electron Transfer Revealed by Ultrafast Time-Resolved Infrared AbsorptionKoch, Marius; Licari, Giuseppe Léonardo; Vauthey, Eric;
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Characterization of Salophen Co(III) Acetate Ionophore for Nitrite RecognitionCrespo Paravano, Gaston Adrian; Ghahraman Afshar, Majid; Barrabes Rabanal, Noëlia; Pawlak, Marcin; Bakker, Eric
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ChemInform Abstract: A Mild and Efficient CH2-Extrusion Reaction for the Enantiospecific Synthesis of Highly Configurationally Stable Troeger BasesPujari, Sandip; Besnard, Celine; Buergi, Thomas; Lacour, Jerome;
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Comparison of Charge-Transfer Dynamics of Naphthalenediimide Triads in Solution and π-Stack Architectures on Solid SurfacesYushchenko, Oleksandr; Villamaina, Diego; Sakai, Naomi; Matile, Stefan; Vauthey, Eric
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Controlling singlet–triplet splitting in carbazole–oxadiazole based bipolar phosphorescent host materialsKautny, Paul; Wu, Zhongbin; Stöger, Berthold; Tissot, Antoine Michel; ... Lumpi, Daniel
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Di-hydrogen contact induced lattice instabilities and structural dynamics in complex hydride perovskitesSchouwink, Pascal; Hagemann, Hans-Rudolf; Embs, J P; D'Anna, V; Cerny, Radovan
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Directional Energy Migration in Nanoparticles of Crystalline Metal ComplexesPrevitera, Elia; Tissot, Antoine Michel; Johns, Robert W.; Hauser, Andreas;
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Discrete polynuclear manganese(II) complexes with thiacalixarene ligands: synthesis, structures and photophysical propertiesSuffren, Yan Jonathan Mathieu; O'Toole, Niall; Hauser, Andreas; Jeanneau, Erwann; ... Desroches, Cédric
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Dynamic Jahn–Teller Effect in the Metastable High-Spin State of Solvated [Fe(terpy)2]2+Zhang, X.; Lawson Daku, Latevi Max; Zhang, J.; Suarez-Alcantara, K.; ... Canton, S. E.
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Electron, Hole, Singlet, and Triplet Energy Transfer in Photoexcited Porphyrin-Naphthalenediimide DyadsYushchenko, Oleksandr; Hangarge, Rahul V.; Mosquera Vazquez, Sandra; Boshale, Sheshanath V.; Vauthey, Eric
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Electron-deficient fullerenes in triple-channel photosystemsLópez-Andarias, Javier; Bolag, Alatengbaolige; Nancoz, Christoph; Vauthey, Eric; ... Matile, Stefan
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Europium-Doped Ba7F12Cl2, a Single Component Near-UV Excited Tunable White PhosphorHagemann, Hans-Rudolf; Bill, Hans; Rey, Julien; Kubel, Frank; ... Lovy, Dominique
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Excited state interactions between the chiral Au38L24 cluster and covalently attached porphyrinVarnholt, Birte; Letrun, Romain; Bergkamp, Jesse J.; Fu, Yongchun; ... Buergi, Thomas
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Excited-State Dynamics of 3-Hydroxyflavone Anion in AlcoholsDereka, Bogdan; Letrun, Romain; Svechkarev, Denis; Rosspeintner, Arnulf; Vauthey, Eric
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Fluorescence enhancement in large-scale self-assembled gold nanoparticle double arraysChekini, Mahshid; Filter, R.; Bierwagen, Jakob; Cunningham, Alastair; ... Buergi, Thomas
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Fluorescent Flippers for Mechanosensitive Membrane ProbesDal Molin, Marta; Verolet, Quentin; Colom Diego, Adai; Letrun, Romain; ... Matile, Stefan
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Freely drawn single lipid nanotube patternsSugihara, Kaori; Rustom, Amin; Spatz, Joachim P.;
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Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic StructureWesolowski, Tomasz Adam; Shedge, Sapana; Zhou, Xiuwen;
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Ion Pair−π InteractionsFujisawa, Kaori; Humbert-Droz, Marie; Letrun, Romain; Vauthey, Eric; ... Matile, Stefan
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