Département de chimie physique

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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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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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Electron transfer across the germanium–polyelectrolyte–gold nanoparticle interface: convenient detection and applications in sensingGhosh, Harekrishna; Bouhekka, Ahmed; Buergi, Thomas;
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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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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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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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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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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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Isotope Exchange Reactions in Ca(BH4)2Sharma, Manish; Sethio, Daniel; D'Anna, Vincenza; Fallas Chinchilla, Juan Carlos; ... Hagemann, Hans-Rudolf
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Magnetic properties of the tetragonal RCuGa3 (R=Pr, Nd and Gd) single crystalsNagalakshmi, R.; Kulkarni, Ruta; Dhar, S.K.; Thamizhavel, A.; ... Nallamuthu, S.
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Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range OrderCanton, S. E.; Zhang, X.; Lawson Daku, Latevi Max; Liu, Y.; ... Alvarez, S.
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Modulation of Active Sites in Supported Au38 (SC2H4Ph)24 Cluster Catalysts: Effect of Atmosphere and Support MaterialZhang, Bei; Kaziz, Sameh; Li, Houhua; Hevia, Miguel González; ... Barrabes Rabanal, Noëlia
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Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivativesPop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; ... Avarvari, Narcis
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On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexesSun, Qinchao; Mosquera Vazquez, Sandra; Suffren, Yan Jonathan Mathieu; Hankache, Jihane; ... Hauser, Andreas
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Orthogonality of embedded wave functions for different states in frozen-density embedding theoryZech, Alexander; Aquilante, Francesco; Wesolowski, Tomasz Adam;
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Pd2Au36(SR)24 cluster: structure studiesZhang, Bei; Kaziz, Sameh; Li, Houhua; Wodka, Dawid; ... Barrabes Rabanal, Noëlia
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Properties of the gold–sulphur interface: from self-assembled monolayers to clustersBuergi, Thomas;
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Quantitative Spectra–Structure Relations for BorohydridesD’Anna, Vincenza; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf;
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Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactionsVishe, Mahesh; Hrdina, Radim; Poblador Bahamonde, Amalia Isabel; Besnard, Céline; ... Lacour, Jérôme
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Rigid Urea and Self-Healing Thiourea Ethanolamine MonolayersStefaniu, Cristina; Zaffalon, Pierre-Léonard; Carmine, Alessio; Verolet, Quentin; ... Zumbuehl, Andréas
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Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversionZare, Davood; Suffren, Yan Jonathan Mathieu; Guenee, Laure; Eliseeva, Svetlana V.; ... Piguet, Claude
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Structural Investigation of the High Spin→Low Spin Relaxation Dynamics of the Porous Coordination Network [Fe(pz)Pt(CN)4]⋅2.6 H2ODelgado Perez, Maria Teresa; Tissot, Antoine Michel; Besnard, Céline; Guenee, Laure; ... Hauser, Andreas
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Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligandNazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; ... Avarvari, Narcis
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Structure–property studies of P-triarylamine-substituted dithieno[3,2-b:2′,3′-d]phospholesPuntscher, Hannes; Kautny, Paul; Stöger, Berthold; Tissot, Antoine Michel; ... Lumpi, Daniel
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Substituent and Solvent Effects on the Excited State Deactivation Channels in Anils and BoranilsDobkowski, Jacek; Wnuk, Paweł; Buczyńska, Joanna; Pszona, Maria; ... Waluk, Jacek
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Synthesis of a Bimetallic Dodecaborate LiNaB12H12 with Outstanding Superionic ConductivityHe, Liqing; Li, Hai-Wen; Nakajima, Hironori; Tumanov, Nikolay; ... Akiba, Etsuo
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Temperature and host dependence of the transition interference between f–f and f–d transitions of Sm2+ in matlockitesPal, Prodipta; Hagemann, Hans-Rudolf; Bill, Hans; Zhang, Jiahua;
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Tetramethoxybenzene is a Good Building Block for Molecular Wires: Insights from Photoinduced Electron TransferHeinz, Luisa G.; Yushchenko, Oleksandr; Neuburger, Markus; Vauthey, Eric; Wenger, Oliver S.
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The influence of boric acid on improved persistent luminescence and thermal oxidation resistance of SrAl2O4:Eu2+Yoon, Songhak; Bierwagen, Jakob; Trottmann, Matthias; Walfort, Bernhard; ... Pokrant, Simone
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Theoretical study of B12HnF2-(12-n) speciesSharma, Manish; Sethio, Daniel; D'Anna, Vincenza; Hagemann, Hans-Rudolf;
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Turn-On Sulfide π Donors: An Ultrafast Push for Twisted MechanophoresVerolet, Quentin; Rosspeintner, Arnulf; Soleimanpour, Saeideh; Sakai, Naomi; ... Matile, Stefan
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Ultrafast Intersystem-Crossing Dynamics and Breakdown of the Kasha–Vavilov’s Rule of NaphthalenediimidesYushchenko, Oleksandr; Licari, Giuseppe Léonardo; Mosquera Vazquez, Sandra; Sakai, Naomi; ... Vauthey, Eric

Doctoral Thesis

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Bimolecular photoinduced electron transfer in liquid solution - from diffusion-controlled to ultrafast processesKoch, Marius;
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Ultrafast intra- and intermolecular quenching processes in liquid SolutionLetrun, Romain;
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