Département de chimie physique

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2021

Scientific Articles

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Click Chemistry on NiO Photocathode to Postfunctionalize a Diketopyrrolopyrrole Sensitizer by Naphthalene Diimide Electron AcceptorBentounsi, Yousra; Seintis, Konstantinos; Diring, Stéphane; Vauthey, Eric; Odobel, Fabrice
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Excited-State Symmetry Breaking and the Laporte RuleSzakacs, Zoltan; Vauthey, Eric;
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Frontiers in Multiscale Modeling of Photoreceptor ProteinsMroginski, Maria‐Andrea; Adam, Suliman; Amoyal, Gil S.; Barnoy, Avishai; ... Schapiro, Igor
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Lifetime Broadening and Impulsive Generation of Vibrational Coherence Triggered by Ultrafast Electron TransferAster, Alexander; Bornhof, Anna-Bea; Sakai, Naomi; Matile, Stefan; Vauthey, Eric
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Long-lived triplet charge-separated state in naphthalenediimide based donor–acceptor systemsAster, Alexander; Rumble, Christopher Allen; Bornhof, Anna-Bea; Huang, Hsin-Hua; ... Vauthey, Eric
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Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescenceHuang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; ... Šolomek, Tomáš
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Role of Intercluster and Interligand Dynamics of [Ag25(DMBT)18] Nanoclusters by Multinuclear Magnetic Resonance SpectroscopySalassa, Giovanni; Krishnadas, Kumaranchira Ramankutty; Pupier, Marion; Viger-Gravel, Jasmine; Buergi, Thomas
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Singlet Fission in a Flexible Bichromophore with Structural and Dynamic ControlAster, Alexander; Zinna, Francesco; Rumble, Christopher Allen; Lacour, Jérôme; Vauthey, Eric
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Thermal Conversion of Unsolvated Mg(B3H8)2 to BH4 in the Presence of MgH2Gigante, Angelina; Leick, Noemi; Lipton, Andrew S.; Tran, Ba; ... Autrey, Tom S.
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Universal quenching of common fluorescent probes by water and alcoholsMaillard, Jimmy Stéphane; Klehs, Kathrin; Rumble, Christopher Allen; Vauthey, Eric; ... Fuerstenberg, Alexandre

Doctoral Thesis

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From Chromophores to Materials: Structure-Property Relationships in Multichromophoric SystemsAster, Alexander;

2020

Scientific Articles

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Access to Chiral Rigid Hemicyanine Fluorophores from Tröger Bases and α-Imino CarbenesSaleh, Nidal; Bosmani, Alessandro; Besnard, Céline; Buergi, Thomas; ... Lacour, Jérôme
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Antibacterial and ATP Synthesis Modulating Compounds from Salvia tingitanaBisio, Angela; Schito, Anna M.; Pedrelli, Francesca; Danton, Ombeline; ... De Tommasi, Nunziatina
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Bimolecular photo-induced electron transfer enlightened by diffusionAngulo Nunez, Gonzalo Manuel; Rosspeintner, Arnulf;
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Bimolecular photoinduced electron transfer in non-polar solvents beyond the diffusion limitNancoz, Christoph; Rumble, Christopher Allen; Rosspeintner, Arnulf; Vauthey, Eric;
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Broadband fluorescence reveals mechanistic differences in excited-state proton transfer to protic and aprotic solventsVERMA, Pragya; Rosspeintner, Arnulf; Dereka, Bogdan; Vauthey, Eric; Kumpulainen, Tatu Samuli
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Change of Quadrupole Moment upon Excitation and Symmetry Breaking in Multibranched Donor‐Acceptor DyesSzakacs, Zoltan; Tasior, Mariusz; Gryko, Daniel T.; Vauthey, Eric;
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Chemistry on the electrodes: post-functionalization and stability enhancement of anchored dyes on mesoporous metal oxide photoelectrochemical cells with copper-free Huisgen cycloaddition reactionBentounsi, Yousra; Seintis, Konstantinos; Ameline, Dorine; Diring, Stéphane; ... Odobel, Fabrice
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Comment on “Theoretical Insights into the Excited State Decays of a Donor–Acceptor Dyad: Is the Twisted and Rehybridized Intramolecular Charge-Transfer State Involved?”Dereka, Bogdan; Rosspeintner, Arnulf; Svechkarev, Denis; Vauthey, Eric;
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Data analysis in transient electronic spectroscopy – an experimentalist's viewBeckwith, Joseph; Rumble, Christopher Allen; Vauthey, Eric;
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Embedding-theory-based simulations using experimental electron densities for the environmentRicardi, Niccolo; Ernst, Michelle; Macchi, Piero; Wesolowski, Tomasz Adam;
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Experimental investigation of Mg(B3H8)2 dimensionality, materials for energy storage applicationsMoury, Romain Yves; Gigante, Angelina; Remhof, Arndt; Roedern, Elsa; Hagemann, Hans-Rudolf
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Fluorescent Membrane Tension Probes for Super-Resolution Microscopy: Combining Mechanosensitive Cascade Switching with Dynamic-Covalent Ketone ChemistryGARCIA, José; Maillard, Jimmy Stéphane; Fureraj, Ina; Strakova, Karolina; ... Matile, Stefan
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Ligand engineering of immobilized nanoclusters on surfaces: ligand exchange reactions with supported Au11(PPh3)7Br3Truttmann, Vera; Herzig, Christopher; Illes, Ivonne; Limbeck, Andreas; ... Rupprechter, Günther
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Ligand exchange reactions on the chiral Au38 cluster: CD modulation caused by the modification of the ligand shell compositionBaghdasaryan, Ani; Martin, Kévin; Lawson Daku, Latevi Max; MastropasquaTalamo, Maurizio; ... Buergi, Thomas
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Lipid Nanotubes as an Organic Template for an Electrically Conductive Gold Nanostructure NetworkJajcevic, Kristina; Sugihara, Kaori;
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Liquid flow and control without solid wallsDunne, Peter; Adachi, Takuji; Dev, Arvind Arun; Sorrenti, Alessandro; ... Hermans, Thomas M.
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Mechanism of Polydiacetylene Blue-to-Red Transformation Induced by Antimicrobial PeptidesNuck, Johann; Sugihara, Kaori;
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Mechanosensitive membrane probes: push-pull papillonsHumeniuk, Heorhii; Licari, Giuseppe Léonardo; Vauthey, Eric; Sakai, Naomi; Matile, Stefan
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Modeling Infrared Spectral Dynamics upon Symmetry Breaking of a Photo-Excited Quadrupolar DyeNazarov, Alexey E.; Ivanov, Anatoly I.; Vauthey, Eric;
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Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)Sethio, Daniel; Martins, João B. L.; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi
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Molecular Dynamics Simulations of Bimolecular Electron Transfer: Testing the Coulomb Term in the Weller EquationRumble, Christopher Allen; Licari, Giuseppe Léonardo; Vauthey, Eric;
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Naphthalenediimides with Cyclic Oligochalcogenides in Their CoreShybeka, Inga; Aster, Alexander; Cheng, Yangyang; Sakai, Naomi; ... Matile, Stefan
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On the correlation potential in Frozen-Density Embedding TheoryWesolowski, Tomasz Adam;
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Probing Liquid Interfaces with Room-Temperature Ionic Liquids Using the Excited-State Dynamics of a Cationic DyeSissaoui, Jihad; Budkina, Darya; Vauthey, Eric;
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Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopyChristmann, Julien; Mansouri, Asma; Grinderslev, Jakob B.; Jensen, Torben R.; Hagemann, Hans-Rudolf
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Probing traps in the persistent phosphor SrAl2O4:Eu2+,Dy3+,B3+ - A wavelength, temperature and sample dependent thermoluminescence investigationBierwagen, Jakob; Delgado, Teresa; Jiranek, Guillaume; Yoon, Songhak; ... Hagemann, Hans-Rudolf
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Propyl acetate/butyronitrile mixture is ideally suited for investigating the effect of dielectric stabilization on (photo)chemical reactionsVERMA, Pragya; Rosspeintner, Arnulf; Kumpulainen, Tatu Samuli;
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Self-Assembled Arrays of Gold Nanorod-Decorated Dielectric Microspheres with a Magnetic Dipole Response in the Visible Range for Perfect Lensing and Cloaking ApplicationsGrillo, Rossella; Beutel, Dominik; Cataldi, Ugo; Rockstühl, Carsten; ... Jülicher, Frank
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Solvent tuning of photochemistry upon excited-state symmetry breakingDereka, Bogdan; Svechkarev, Denis; Rosspeintner, Arnulf; Aster, Alexander; ... Vauthey, Eric
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The Enantiomers of Trinorbornane and Derivatives ThereofDelarue Bizzini, Lorenzo; Buergi, Thomas; Mayor, Marcel;
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Theory of fluorescence spectrum dynamics and its application to determining the relaxation characteristics of the solvent and intramolecular vibrationsFedunov, Roman G.; Yermolenko, Igor P.; Nazarov, Alexey E.; Ivanov, Anatoly I.; ... Angulo, Gonzalo
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Thiolato Protected Copper Sulfide Cluster with the Tentative Composition Cu74S15(2-PET)45Baghdasaryan, Ani; Besnard, Céline; Lawson Daku, Latevi Max; Delgado, Teresa; Buergi, Thomas
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Untying the Photophysics of Quinolinium‐Based Molecular Knots and LinksCaprice, Kenji; Aster, Alexander; Cougnon, Fabien; Kumpulainen, Tatu Samuli;
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Visible Light CO2 Reduction to CH4 Using Hierarchical Yolk@shell TiO2_xHx Modified with Plasmonic Au–Pd NanoparticlesZiarati, Abolfazl; Badiei, Alireza; Luque, Rafael; Dadras, Massoud; Buergi, Thomas

Preprints

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Frozen-Density Embedding Theory based simulations using experimental electron densities for the environmentRicardi, Niccolo; Ernst, Michelle; Macchi, Piero; Wesolowski, Tomasz Adam;

Doctoral Thesis

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Cooperative Interaction of Antimicrobial Peptides as an Emerging Novel Mechanism of Host DefenseGrassin, Ewa Beata;
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Designed synthesis and surface modification of metal clusters: from fundamentals to applicationsBaghdasaryan, Ani;
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Lipid Nanotubes as Organic Template for NanofabricationJajcevic, Kristina;
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Novel and Scalable Synthesis of BnHxz- Boron Clusters as Solid-State Electrolytes for Sodium Batteries and their Detailed Study for Hydrogen Storage ApplicationsGigante, Angelina;
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Polydiacetylene-Peptide Interaction Mechanism in Mixed Lipid SystemsNuck, Johann;

2019

Scientific Articles

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3D Yolk@Shell TiO2–x/LDH Architecture: Tailored Structure for Visible Light CO2 ConversionZiarati, Abolfazl; Badiei, Alireza; Grillo, Rossella; Buergi, Thomas;
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Accurate Computational Thermodynamics Using Anharmonic Density Functional Theory Calculations: The Case Study of B–H SpeciesMaillard, Robert; Sethio, Daniel; Hagemann, Hans-Rudolf; Lawson Daku, Latevi Max;
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Amplified vibrational circular dichroism as a manifestation of the interaction between a water soluble gold nanocluster and cobalt saltBhattacharya, Sarita; Buergi, Thomas;
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Anion Transport with Pnictogen Bonds in Direct Comparison with Chalcogen and Halogen BondsLee, Lucia M.; Tsemperouli, Maria; Poblador Bahamonde, Amalia Isabel; Benz, Sebastian; ... Matile, Stefan
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Black Lipid Membranes: Challenges in Simultaneous Quantitative Characterization by Electrophysiology and Fluorescence MicroscopyTsemperouli, Maria; Amstad, Esther; Sakai, Naomi; Matile, Stefan; Sugihara, Kaori
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Boron Hydrogen Compounds for Hydrogen Storage and as Solid Ionic ConductorsHagemann, Hans-Rudolf;
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Direct Solution‐Based Synthesis of Na4(B12H12)(B10H10) Solid ElectrolyteGigante, Angelina; Duchene, Léo; Moury, Romain Yves; Pupier, Marion; ... Hagemann, Hans-Rudolf
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Divergent Enantioselective Synthesis of (Nor)illudalane Sesquiterpenes via Pd0-Catalyzed Asymmetric C(sp3)–H ActivationMelot, Romain; Craveiro, Marcus V.; Buergi, Thomas; Baudoin, Olivier;
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Doping of thiolate protected gold clusters through reaction with metal surfacesKazan, Rania; Mueller, Ulrich Patrick; Buergi, Thomas;
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Dynamic Origin of Chirality Transfer between Chiral Surface and Achiral Ligand in Au38 ClustersRiccardi, Laura; De Biasi, Federico; De Vivo, Marco; Buergi, Thomas; ... Salassa, Giovanni
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Effect of symmetric and asymmetric substitution on the optoelectronic properties of 9,10-dicyanoanthraceneGlöcklhofer, Florian; Rosspeintner, Arnulf; Pasitsuparoad, Pakorn; Eder, Simon; ... Plasser, Felix
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Effect of the nonspecific binding in differential impedance biosensingBuff, Mathias Quentin Patrice; Drab, Ewa Beata; Sugihara, Kaori;
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Electrochemical Oxidative Stability of Hydroborate-Based Solid-State ElectrolytesAsakura, Ryo; Duchene, Léo; Kühnel, Ruben-Simon; Remhof, Arndt; ... Battaglia, Corsin
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Engineering of highly active Au/Pd supported on hydrogenated urchin-like yolk@shell TiO2 for visible light photocatalytic Suzuki couplingRohani, Sahar; Ziarati, Abolfazl; Ziarani, Ghodsi Mohammadi; Badiei, Alireza; Buergi, Thomas
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Estimation of Thermodynamic Properties of Metal HydroboratesHagemann, Hans-Rudolf;
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Extension of frozen-density embedding theory for non-variational embedded wavefunctionsZech, Alexander; Dreuw, Andreas; Wesolowski, Tomasz Adam;
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Ground-State Structural Disorder and Excited-State Symmetry Breaking in a Quadrupolar MoleculeSoederberg, Carl Magnus; Dereka, Bogdan; Marrocchi, Assunta; Carlotti, Benedetta; Vauthey, Eric
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Halogen-Bond Assisted Photoinduced Electron TransferDereka, Bogdan; Fureraj, Ina; Rosspeintner, Arnulf; Vauthey, Eric;
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High-affinity binding of chemokine analogs that display ligand bias at the HIV-1 coreceptor CCR5Rico, Carlos A; Berchiche, Yamina A; Horioka, Mizuho; Peeler, Jennifer C; ... Huber, Thomas
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High-resolution interference microscopy with spectral resolution for the characterization of individual particles and self-assembled meta-atomsSymeonidis, Michail; Suryadharma, Radius; Grillo, Rossella; Vetter, Andreas; ... Scharf, Toralf
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Identification and optical features of the Pb4Ln2O7 series (Ln = La, Gd, Sm, Nd); genuine 2D-van der Waals oxidesColmont, Marie; Lemoine, Kévin; Roussel, Pascal; Kabbour, Houria; ... Mentré, Olivier
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Ion-Pair Dynamics upon Photoinduced Electron Transfer Monitored by Pump–Pump–Probe SpectroscopyBeckwith, Joseph; Lang, Bernhard Felix; Grilj, Jakob; Vauthey, Eric;
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Ionic Conduction Mechanism in the Na2(B12H12)0.5(B10H10)0.5closo-Borate Solid-State Electrolyte: Interplay of Disorder and Ion–Ion InteractionsDuchene, Léo; Lunghammer, Sarah; Burankova, Tatsiana; Liao, Wei-Chih; ... Battaglia, Corsin
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Ligand and support effects on the reactivity and stability of Au38(SR)24 catalysts in oxidation reactionsZhang, Bei; Garcia, Clara; Sels, Annelies; Salassa, Giovanni; ... Buergi, Thomas
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Magnetic field effect on ion pair dynamics upon bimolecular photoinduced electron transfer in solutionFeskov, Serguei V.; Rogozina, Marina V.; Ivanov, Anatoly I.; Aster, Alexander; ... Vauthey, Eric
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New Insights into the Influence of the 4f55d1 State in the 4f6 Electronic Configuration of Sm2+ in Crystal HostsChristmann, Julien; Hagemann, Hans-Rudolf;
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Plasmon-mediated discrete diffraction behaviour of an array of responsive waveguidesPezzi, Luigia; De Sio, Luciano; Veltri, Alessandro; Cunningham, Alastair; ... Caputo, Roberto
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Pressure-induced phase transitions in Na2B12H12, structural investigation on a candidate for solid-state electrolyteMoury, Romain Yves; Łodziana, Zbigniew; Remhof, Arndt; Duchene, Léo; ... Hagemann, Hans-Rudolf
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Quantitative Assessment of B−B−B, B−Hb−B, and B−Ht Bonds: From BH3 to B12H122−Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf; Kraka, Elfi;
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Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant ActivityReinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; ... Hamburger, Matthias
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Spectroscopic properties of Dy3+- and Dy3+, B3+- doped SrAl2O4Delgado, Teresa; Ajoubipour, Sareh; Afshani Aghajari, Jafar; Yoon, Songhak; ... Hagemann, Hans-Rudolf
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Spectroscopic Study of a Single Crystal of SrAl2O4:Eu2+:Dy3+Delgado Perez, Teresa; Afshani Aghajari, Jafar; Hagemann, Hans-Rudolf;
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Stereochemical significance of O to N atom interchanges within cationic helicenes: experimental and computational evidence of near racemization to remarkable enantiospecificityLabrador Beltran, Maria Géraldine; Besnard, Céline; Buergi, Thomas; Poblador Bahamonde, Amalia Isabel; ... Lacour, Jérôme
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Structural dynamics of an excited donor–acceptor complex from ultrafast polarized infrared spectroscopy, molecular dynamics simulations, and quantum chemical calculationsRumble, Christopher Allen; Vauthey, Eric;
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The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposureOrtuso, Roberto; Ricardi, Niccolo; Buergi, Thomas; Wesolowski, Tomasz Adam; Sugihara, Kaori
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The influence of silica surface groups on the Li-ion conductivity of LiBH4/SiO2 nanocompositesNgene, Peter; Lambregts, Sander F. H.; Blanchard, Didier; Vegge, Tejs; ... de Jongh, Petra E.
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The Origin of the Solvatochromism in Organic Fluorophores with Flexible Side Chains: A Case Study of Flugi-2Wolff, Franziska E.; Höfener, Sebastian; Elstner, Marcus; Wesolowski, Tomasz Adam;
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Theoretical Study of Halogenated B12H(n)X(12-n)2- (X = F, Cl, Br)Sharma, Manish; Sethio, Daniel; Lawson Daku, Latevi Max; Hagemann, Hans-Rudolf;
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Towards efficient initiators for two-photon induced polymerization: fine tuning of the donor/acceptor propertiesHolzer, Brigitte; Lunzer, Markus; Rosspeintner, Arnulf; Licari, Giuseppe Léonardo; ... Fröhlich, Johannes
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Transformation from [Au25(SCH2CH2CH2CH3)18]0 to Au28(SCH2CH(CH3)Ph)21 gold nanoclusters: gentle conditions is enoughWang, Yanan; Nieto Ortega, Belen; Buergi, Thomas;
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Tuning symmetry breaking charge separation in perylene bichromophores by conformational controlAster, Alexander; Licari, Giuseppe Léonardo; Zinna, Francesco; Brun, Elodie; ... Vauthey, Eric
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Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand ShellSels, Annelies; Azoulay, Raymond; Buma, Wybren Jan; Koenis, Mark A. J.; ... Buergi, Thomas
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«Elémentaire !» – The 2019 Science Contest for Schools in Geneva to Celebrate the International Year of the Periodic TablePerret, Didier; Laty, Guillaume Henri; Hagemann, Hans-Rudolf;

Doctoral Thesis

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Atomically precise metal cluster building blocksSels, Annelies;
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Characterisation of polydiacetylene for the detection of forces in membranesOrtuso, Roberto Diego;
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Development of a New closo-Borate Solid Electrolyte and Its Implementation in All-Solid-State BatteriesDuchene, Léo;
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Development of Frozen-Density Embedding theory methods with correlated wavefunctionsZech, Alexander;
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Investigating photoinduced charge-Transfer products using ultrafast spectroscopyBeckwith, Joseph;
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Raman optical activity of small diameter semiconducting single-walled carbon nanotubesMagg, Martin;
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