• Coupling to octahedral tilts in halide perovskite nanocrystals induces phonon-mediated attractive interactions between excitons
    N. Yazdani, M.I. Bodnarchuk, F. Bertolotti, N. Masciocchi, I. Fureraj, B. Guzelturk, B. Cotts, M. Zajac, G. Raino, M. Jansen, S.C. Boehme, M. Yarema, M.F. Lin, M. Kozina, A. Reid, X. Shen, S. Weathersby, X. Wang, E. Vauthey, A. Guagliardi, M.V. Kovalenko, V. Wood and A.M. Lindenberg
    Nature Physics, 20 (2024), p47-53
    DOI:10.1038/s41567-023-02253-7 | unige:174617 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
 
  
  • Dye-Sensitized Photoelectrosynthesis Cells for Benzyl Alcohol Oxidation Using a Zinc Porphyrin Sensitizer and TEMPO Catalyst
    E. Nikoloudakis, B.P. Palas, G. Charalambidis, D.S. Budkina, S. Diring, A. Planchat, D. Jacquemin, E. Vauthey, A.G. Coutsolelos and F. Odobel
    ACS Catalysis, 11 (19) (2021), p12075-12086
    DOI:10.1021/acscatal.1c02609 | unige:154975 | Abstract | Article HTML | Article PDF | Supporting Info
 
  
 
  
 
  
 
  
 
  
 
  
  • Chemistry on the electrodes: post-functionalization and stability enhancement of anchored dyes on mesoporous metal oxide photoelectrochemical cells with copper-free Huisgen cycloaddition reaction
    Y. Bentounsi, K. Seintis, D. Ameline, S. Diring, D. Provost, E. Blart, Y. Pellegrin, D. Cossement, E. Vauthey and F Odobel
    J. Mater. Chem. A, 8 (2020), p12633-12640
    DOI:10.1039/D0TA04982D | unige:138165 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  • Effect of symmetric and asymmetric substitution on the optoelectronic properties of 9,10-dicyanoanthracene
    F. Glöcklhofer, A. Rosspeintner, P. Pasitsuparoad, S. Eder, J. Fröhlich, G. Angulo, E. Vauthey and F. Plasser
    Mol. Sys. Des. Eng., 4 (2019), p251-261
    DOI:10.1039/C9ME00040B | unige:126823 | Abstract | Article HTML | Article PDF
  
 
  • Towards efficient initiators for two-photon induced polymerization: fine tuning of the donor/acceptor properties
    B. Holzer, M. Lunzer, A. Rosspeintner, G. Licari, M. Tromayer, S. Naumov, D. Lumpi, E. Horkel, C. Hametner, A. Ovsianikov, R. Liska, E. Vauthey and J. Fröhlich
    Mol. Sys. Des. Eng., 4 (2019), p437-448
    DOI:10.1039/C8ME00101D | unige:126822 | Abstract | Article HTML | Article PDF | Supporting Info
  
 
  
 
  
  • Wavelength-optimized Two-Photon Polymerization Using Initiators Based on Multipolar Aminostyryl-1,3,5-triazines
    M. Tromayer, P. Gruber, A. Rosspeintner, A. Ajami, W. Husinsky, F. Plasser, L. González, E. Vauthey, A. Ovsianikov and R. Liska
    Scientific Reports, 8 (1) (2018), p17273
    DOI:10.1038/s41598-018-35301-x | Abstract | Article HTML
  • Cyclopeptidic photosensitizer prodrugs as proteolytically triggered drug delivery systems of pheophorbide A: part II  co-loading of pheophorbide A and black hole quencher
    J. Bouilloux, O. Yuschenko, B. Dereka, G. Boso, A. Babic, H. Zbinden, E. Vauthey and N. Lange
    Photochemical & Photobiological Sciences, 17 (11) (2018), p1739-1748
    DOI:10.1039/C8PP00318A | Abstract | Article HTML | Article PDF
  • Cyclopeptidic photosensitizer prodrugs as proteolytically triggered drug delivery systems of pheophorbide A: part I self-quenched prodrugs
    J. Bouilloux, O. Yuschenko, B. Dereka, G. Boso, H. Zbinden, E. Vauthey, A. Babic and N. Lange
    Photochemical & Photobiological Sciences, 17 (11) (2018), p1728-1738
    DOI:10.1039/C8PP00317C | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
  • Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations
    H. Hagemann, M. Sharma, D. Sethio and L.M. Lawson Daku
    Helvetica Chimica Acta, 101 (2) (2018)
    DOI:10.1002/hlca.201700239 | Abstract
 
  • A stable 3 V all-solid-state sodium-ion battery based on a closo -borate electrolyte
    L. Duchêne, R.-S. Kühnel, E. Stilp, E.C. Reyes, A. Remhof, H. Hagemann and C. Battaglia
    Energy & Environmental Science, 10 (12) (2017), p2609-2615
    DOI:10.1039/C7EE02420G | Abstract
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  

 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Amorphous Nanoparticle Assemblies by Bottom-Up Principles
    A. Cunningham, M. Chekini and T. Burgi
    in "Active Plasmonic Nanomaterials" Luciano de Sio, Pan Stanford, (2015), p101-103
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  • Plasmonic coupling between nanostructures: from periodic and rigid to random and flexible systems
    U. Cataldi, R. Caputo, Y. Kurylyak, G. Klein, M. Chekini, C. Umeton and T. Burgi
    in "Active Plasmonic Nanomaterials" Luciano De Sio, Pan Stanford, (2015), p363-365
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  • Single Crystal EPR Studies of Radicals Produced by Radiolysis of Organophosphorus Compounds
    M. Geoffroy
    in "Applications of EPR in Radiation Research" Anders Lund - Masaru Shiotani Eds., Springer, (2014), p33-66
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  • Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}: optical spectroscopy and cooperative effects
    P. Chakraborty, C. Enachescu, A. Humair, L. Egger, T. Delgado, A. Tissot, L. Guénée, C. Besnard, R. Bronisz and A. Hauser
    Dalton Transactions, 43 (47) (2014), p17786-17796
    DOI:10.1039/C4DT01728E | unige:42340 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
  • Probing the Anisotropic Distortion of Photoexcited Spin Crossover Complexes with Picosecond X‑ray Absorption Spectroscopy
    S.E. Canton, X. Zhang, L.M. Lawson Daku, A.L. Smeigh, J. Zhang, Y. Liu, C.-J. Wallentin, K. Attenkofer, G. Jennings, C.A. Kurtz, D. Gosztola, K. Wärnmark, A. Hauser and V. Sundström
    Journal of Physical Chemistry C, 118 (8) (2014), p4536-4545
    DOI:10.1021/jp5003963 | unige:37983 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
  • A modified cyclen azaxanthone ligand as a new fluorescent probe for Zn2+
    H. Nouri, C. Cadiou, L.M. Lawson Daku, A. Hauser, S. Chevreux, I. Déchamps-Olivier, F. Lachaud, R. Ternane, M. Trabelsi-Ayadi, F. Chuburu and G. Lemercier
    Dalton Transactions, 42 (2013), p12157-12164
    DOI:10.1039/c3dt51216a | unige:29225 | Abstract | Article PDF
 
  
  • Non-additive kinetic energy and potential in analytically solvable systems and their approximated counterparts
    T.A. Wesolowski and A. Savin
    in "Recent Progress in Orbital-free Density Functional Theory (Recent Advances in Computational Chemistry Vol. 6)" T.A. Wesolowski and Y.A. Wang Eds., World Scientific, 6 (2013), p275-295
    DOI:10.1142/9789814436731_0009 | unige:28400 | Abstract | Article PDF
  • Semilocal approximations for the kinetic energy
    F. Tran and T.A. Wesolowski
    in "Recent Progress in Orbital-free Density Functional Theory (Recent Advances in Computational Chemistry Vol. 6)" T.A. Wesolowski and Y.A. Wang Eds., World Scientific, 6 (2013), p429-442
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  • A Straightforward Synthesis and Structure-Activity Relationship of Highly Efficient Initiators for Two-Photon Polymerization
    Z. Li, N. Pucher, K. Cicha, J. Torgersen, S.C. Ligon, A. Ajami, W. Husinsky, A. Rosspeintner, E. Vauthey, S. Naumov, T. Scherzer, J. Stampfl and R. Liska
    Macromolecules, 46 (2) (2013), p352-361
    DOI:10.1021/ma301770a | unige:26500 | Abstract | Article HTML | Article PDF | Video
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  • A Synthetic and Mechanistic Investigation of the Chromium Tricarbonyl-Mediated Masamune–Bergman Cyclization. Direct Observation of a Ground-State Triplet p-Benzyne Biradical
    K.E.O. Ylijoki, S. Lavy, A. Fretzen, E.P. Kündig, T. Berclaz, G. Bernardinelli and C. Besnard
    Organometallics, 31 (15) (2012), p5396-5404
    DOI:10.1021/om300427j | unige:22151 | Abstract | Article HTML | Article PDF
  
  • Optimizing Millisecond Time Scale Near-Infrared Emission in Polynuclear Chrome(III)-Lanthanide(III) Complexes
    L. Aboshyan-Sorgho, H. Nozary, A. Aebischer, J.-C.G. Bünzli, , K.R. Kittilstved, A. Hauser, S.V. Eliseeva, S. Petoud and C. Piguet
    Journal of the American Chemical Society, 134 (30) (2012), p12675-12684
    DOI:10.1021/ja304009b | unige:22645 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  • Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent Density Functional Theory Calculations with the Equation-of-Motion Coupled-Cluster Results
    G. Fradelos, J.J. Lutz, T.A. Wesolowski, P. Piecuch and M. Wloch
    in "Progress in Theoretical Chemistry and Physics" Advances in the Theory of Quantum Systems in Chemistry and Physics, ed. P. Hoggan, E. Brändas, J. Maruani, P. Piecuch and G. Delgado-Barrio, 22 (2012), p219-248
    DOI:10.1007/978-94-007-2076-3_13 | unige:17800 | Abstract | Article PDF
  • Attenuated total reflection infrared (ATR-IR) spectroscopy, modulation excitation spectroscopy (MES), and vibrational circular dichroism (VCD)
    T. Bürgi
    in "Biointerface Characterization by Advanced IR Spectroscopy" Edited by:C.-M. Pradier And Y.J. Chabal, Ch. 5 (2011), p115-144
    DOI:10.1016/B978-0-444-53558-0.00005-9 | unige:98056 | Abstract
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Photoinduced electron transfer reactions: from the elucidation of old problems towards the exploration of interfaces
    M. Fedoseeva, J. Grilj, O. Kel, M. Koch, R. Letrun, V. Markovic, I. Petkova, S. Richert, A. Rosspeintner, P. Sherin, D. Villamaina, B. Lang and E. Vauthey
    Chimia, 65 (2011), p350-352
    DOI:10.2533/chimia.2011.350 | unige:16760 | Abstract | Article PDF
 
  • «La chimie, ça reste une science expérimentale!» Entretien avec le professeur Jacques Weber
    J. Weber
    Chimia, 65 (5) (2011), p362-365
    DOI:10.2533/chimia.2011.362
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Experimental evidence of librational vibrations determining the stability of calcium borohydride
    A. Borgschulte, R. Gremaud, A. Züttel, P. Martelli, A. Remhof, A.J. Ramirez-Cuesta, K. Refson, E.G. Bardaji, W. Lohstroh, M. Fichtner, H. Hagemann and M. Ernst
    Physical Review B, 83 (2) (2011), p24102
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  • Significant variation of the singlet-quintet intersystem crossing rate constant in an iron(II) high-spin complex as a function of temperature
    I. Krivokapic, P. Chakraborty, R. Bronisz, C. Enachescu and A. Hauser
    Angewandte Chemie, 49 (45) (2010), p8509-8512
    DOI:10.1002/anie.201004500 | unige:14713
 
  
 
  
 
  
 
  
 
  
 
  
 
  • Structural, Spectroscopic, and Multiconfigurational Quantum Chemical Investigations of the Electron-Rich Metal−Metal Triple-Bonded Tc2X4(PMe3)4 (X = Cl, Br) Complexes
    F. Poineau, P.M. Forster, T.K. Todorova, L. Gagliardi, A.P. Sattelberger and K.R. Czerwinski
    Inorganic Chemistry, 49 (14) (2010), p6646-6654
    DOI:10.1021/ic100641j | unige:14719 | Abstract | Article HTML | Article PDF
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Time-resolved x-ray absorption spectroscopy: Watching atoms dance
    C.J Milne, V.-T. Pham, W. Gawelda, R.M Van der Veen, A. El Nahhas, S.L Johnson, P. Beaud, G. Ingold, F. Lima, D.A Vithanage, M. Benfatto, D. Grolimund, C. Borca, M. Kaiser, A. Hauser, R. Abela, C. Bressler and M. Chergui
    Journal of Physics: Conference Series, 190 (2009), p12052
    DOI:10.1088/1742-6596/190/1/012052 | Abstract | Article PDF
 
  
 
  
  • Physical Chemistry at the University of Geneva
    H. Hagemann, T.A. Wesolowski, T. Berclaz, L. Gagliardi, M. Geoffroy, A. Hauser, H. Bill, A. Buchs, F. Gülaçar, E.A.C. Lucken, J. Weber and E. Vauthey
    Chimia, 63 (12) (2009), p798-806
    DOI:10.2533/chimia.2009.807 | unige:4773 | Abstract | Article PDF
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Crystal Structure of Octabromoditechnetate(III) and a Multiconfigurational Quantum Chemical Study of the δ-> δ* Transition in Quadruply Bonded [M2X8]2- Dimers (M = Tc, Re; X = Cl, Br)
    F. Poineau, L. Gagliardi, P.M. Forster, A.P. Sattelberger and K.R. Czerwinski
    Dalton Transactions, 2009 (2009), p5954-5959
    DOI:10.1039/b902106j | unige:3173 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
  • Ruthenium(II) Coordination Chemistry of a Fused Donor-Acceptor Ligand: Synthesis, Characterization and Photoinduced Electron Transfer Reactions of [{Ru(bpy)2}n(TTF-ppb)](PF6)2n (n = 1, 2)
    C. Goze, N. Dupont, E. Beitler, C. Leiggener, H. Jia, P. Monbaron, S.-X. Liu, A. Neels, A. Hauser and S. Decurtins
    Inorganic Chemistry, 47 (23) (2008), p11010-11017
    DOI:10.1021/ic801252t | unige:3564 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  • Towards inert and pre-organized d-block-containing receptors for trivalent lanthanides: The synthesis and characterization of triple-helical monometallic OsII and bimetallic OsII-LnIII complexes
    T. Riis-Johannessen, N. Dupont, G. Canard, G. Bernardinelli, A. Hauser and C. Piguet
    Dalton Transactions, 28 (2008), p3661-3677
    DOI:10.1039/b718885d | unige:3572 | Abstract | Article HTML | Article PDF

  
 
  
 
  
 
  
 
  
 
  
  • A Dichromium(II) Bis(η8-pentalene) Double-Sandwich Complex with a Spin Equilibrium: Synthetic, Structural, Magnetic and Theoretical Studies
    G. Balazs, F.G.N. Cloke, L. Gagliardi, J.C. Green, A. Harrison, P.B. Hitchcock, A. Rehaman Moughal Shahi and O.T. Summerscales
    Organometallics, 27 (9) (2008), p2013-2020
    DOI:10.1021/om701153t | unige:65 | Abstract | Article HTML | Article PDF
 
  
 

  
 
  • Probing chiral recognition in liquid chromatography by absolute configuration modulation ATR-IR spectroscopy
    R. Wirz, D. Ferri, T. Bürgi and A. Baiker
    Spectroscopy Europe, 19 (1) (2007), p8-16
    unige:14678
  
  • Synthesis and application of gold nanoparticles
    Q.-L. Li and T. Bürgi
    Xiandai Huagong (Modern Chemical Industry), 27 Suppl (2007), p378-381
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  • Dual Luminescence and Long-lived Charge Separated states in Donor-Acceptor Assemblies based on Tetrathiafulvalene Fused Ruthenium(II)-Polypyridine Complexes
    C. Leiggener, N. Dupont, S.-X. Liu, C. Goze, S. Decurtins, E. Breitler and A. Hauser
    Chimia, 61 (10) (2007), p621-625
    DOI:10.2533/chimia.2007.621 | unige:3580 | Abstract | Article PDF
 
  
 
  
 
  • Transition Metal-and Actinide-Containing Systems Studied with Multiconfigurational Quantum Chemical Methods
    L. Gagliardi
    in "Reviews in Computational Chemistry" Kenny B. Lipkowitz and Thomas R. Cundari, John Wiley & Sons, Inc., Hoboken, NJ, 25 (2007), p249-284
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  • Hohenberg-Kohn-Sham Density Functional Theory: The formal basis for a family of succesful and still evolving computational methods for modelling interactions in complex chemical systems
    T.A. Wesolowski
    in "Molecular Materials with Specific Interactions: Modeling and Design" A.W. Sokalski, Ed., Springer Verlag, (2007), p153-202
    DOI:10.1007/1-4020-5372-X | unige:4034
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  
 
  • Ultrafast Dynamics of Fluorescent DNA Intercalators
    A. Fürstenberg, M.D. Julliard, T.G. Deligeorgiev, N.I. Gadjev, A.A. Vassilev and E. Vauthey
    in "Femtochemistry VII: Fundamental Ultrafast Processes in Chemistry, Physics, and Biology" A. W. Castleman Jr., M. L. Kimble Eds., Elsevier, (2006), p391-395
    unige:4037
  
  • On the nature of the metal-metal multiple bond
    L. Gagliardi and B.O. Roos
    in "Lecture Series on Computer and Computational Sciences" Brill Academic Publisher, 6 (2006), p6-22
 
  
 
  
 
  
 
  
  • Photoproduction of Proton Gradients with pi-Stacked Fluorophore Scaffolds in Lipid Bilayers.
    S. Bhosale, A.L. Sisson, P. Talukdar, A. Fürstenberg, N. Banerji, E. Vauthey, G. Bollot, J. Mareda, C. Röger, F. Würthner, N. Sakai and S. Matile
    Science, 313 (5783) (2006), p84-86
    DOI:10.1126/science.1126524 | unige:3301 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
 
  
 
  
 
  • Synthesis and Characterization of Tetrahedral Ru3O Clusters with Intrinsic Framework Chirality: A Chiral Probe of the Intact Cluster Catalysis Concept
    L. Vieille-Petit, G. Süss-Fink, B. Therrien, T.R. Ward, H. Stœckli-Evans, G. Labat, L. Karmazin-Brelot, A. Neels, T. Bürgi, R.G. Finke and C.M. Hagen
    Organometallics, 24 (25) (2005), p6104-6119
    DOI:10.1021/om050643t | unige:14737 | Abstract | Article HTML | Article PDF
  • Vibrational circular dichroism of N-acetyl-L-cysteine protected gold nanoparticles
    C. Gautier and T. Bürgi
    ChemComm, (43) (2005), p5393-5395
    DOI:10.1039/b509346e | Abstract
  • Applied density functional theory and the deMon codes 1964-2004
    D.R. Salahub, A. Goursot, J. Weber, A.M. Köster and A. Vela
    in "Theory and Applications of Computational Chemistry : The First 40 Years. A Volume of Technical and Historical Perspectives" C.E. Dykstra, G. Franking, K.S. Kim and G.E. Scuseria, eds., Elsevier, Amsterdam, (2005), p1079
    unige:4033
  • Reactivity of Copper(I) Complexes with Tripodal Ligands towards O2: Structures of a Precursor [L3CuI(NCCH3)](BF4), L3 = Tris(3-isopropyl-4,5-trimethylenepyrazolyl)methane and of its Oxidation Product [L3CuII(-OH)2CuIIL3](BF4)2 with Strong Antiferromagnetic Spin-Spin Coupling
    W. Kaim, C. Titze, T. Schurr, M. Sieger, L.M. Lawson Daku, J. Jordanov, D. Rojas, A.M. García and J. Manzur
    Zeitschrift für anorganische und allgemeine Chemie, 631 (13-14) (2005), p2568-2574
    DOI:10.1002/zaac.200500053 | unige:3316 | Abstract | Article PDF
  
 
  
 
  • Multiconfigurational Theoretical Study of the Octamethyldimetalates of Cr(II), Mo(II), W(II), and Re(III): Revisiting the Correlation between the M-M Bond Length and the δ→δ* Transition Energy
    F. Ferrante, L. Gagliardi, B.E. Bursten and A.P. Sattelberger
    Inorganic Chemistry, 44 (34) (2005), p8476-8480
    DOI:10.1021/ic050406i | unige:3309 | Abstract | Article HTML | Article PDF
  
 
  
 
  • One-Electron Equations for Embedded Electron Density and Their Applications to Study Electronic Structure of Atoms and Molecules in Condensed Phase
    M. Dulak, R. Kevorkyants, F. Tran and T.A Wesolowski
    Chimia, 59 (7-8) (2005), p488-492
    DOI:10.2533/000942905777676146 | unige:3269 | Abstract | Article PDF
  
  • Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+
    A. Fouqueau, M.E. Casida, L.M. Lawson Daku, A. Hauser and F. Neese
    Journal of Chemical Physics, 122 (4) (2005), p44110
    DOI:10.1063/1.1839854 | unige:3272 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  • Transient Holographic Grating Techniques in Chemical Dynamics
    E. Vauthey
    in "Encyclopedia of modern optics" R. D. Guenther, D. G. Steel and L. Bayvel Eds; Oxford: Elsevier, 1 (2005), p73-82
    unige:3931
  
 
  
 
  
  • Ultrafast spectroscopy on bimolecular photoinduced electron transfer reactions
    A. Morandeira, A. Fürstenberg, S. Pagès, B. Lang and E. Vauthey
    The Spectrum, 17 (4) (2004), p14-19
    unige:3248 | Article PDF


  • Tuning facial-meridional isomerisation in monometallic nine-coordinate lanthanide complexes with unsymmetrical tridentate ligands
    T. Le Borgne, P. Altmann, N. André, J.-C.G. Bünzli, G. Bernardinelli, , J. Weber and C. Piguet
    Dalton Transactions, (5) (2004), p723-733
    DOI:10.1039/b316035a | unige:3251 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
  • Femtosecond times-resolved studies on bimolecular electron transfer processes
    S. Pagès, B. Lang and E. Vauthey
    in "Femtochemistry and Femtobiology" M. Martin and J. T. Hynes Eds., Elsevier, (2004), p319
    unige:4027
  • Influence of solute-solvent interactions on the quenching dynamics of perylene derivatives in an electron donating solvent
    A. Morandeira, A. Fürstenberg and E. Vauthey
    in "Femtochemistry and Femtobiology" M. Martin and J. T. Hynes Eds., Elsevier, (2004), p327
  • Effect of excitation wavelength on the charge recombination dynamics of excited donor acceptor complexes
    O. Nicolet, A.I. Ivanov and E. Vauthey
    in "Femtochemistry and Femtobiology" M. Martin and J. T. Hynes Eds., Elsevier, (2004), p331
    unige:4028
 
  
 
  
 
  
 
  
  • Heavy element quantum chemistry - the multiconfigurational approach
    B.O. Roos, P.-A. Malmqvist and L. Gagliardi
    in "Fundamental World of Quantum Chemistry" E. J. Brandas and E. S. Kryachko, Eds.Kluwer, Dordrecht, 2 (Ch. 16) (2003)
    unige:4031
 
  
  • Non-equilibrium charge recombination dynamics of excited donor-acceptor complexes
    O. Nicolet and E. Vauthey
    in "Ultrafast Phenomena XIII" Springer Series in Chemical Physics, (2003), p432-434
    unige:4032
  • Investigation of the Reduced High-Potential Iron-Sulfur Protein from Chromatium vinosum and Relevant Model Compounds: A Unified Picture of the Electronic Structure of [Fe4S4]2+ Systems through Magnetic and Optical Studies
    L.M. Lawson Daku, J. Pécaut, A. Lenormand-Foucaut, B. Vieux-Melchior, P. Iveson and J. Jordanov
    Inorganic Chemistry, 42 (21) (2003), p6824-6850
    DOI:10.1021/ic034494n | unige:3717 | Abstract | Article HTML | Article PDF
 
  
  • Fine tuning the electronic properties of [M(bpy)3]2+ complexes by chemical pressure (M = Fe2+, Ru2+, Co2+, bpy = 2,2'-bipyridine)
    A. Hauser, N. Amstutz, S. Delahaye, S. Schenker, A. Sadki, R. Sieber and M. Zerara
    in "Structure and Bonding" (ed. Th. Schönherr), Springer, Berlin, 106 (2003), p81
    unige:4029
  • Excited Spin State Trapping (LIESST, NIESST)
    A. Hauser and P. Gütlich
    in "Comprehensive Coordination Chemistry II" (eds. T. J. Meyer, A. B. P. Lever), Elsevier, Amsterdam, 2 (2003), p427
    unige:4030
 
  
 
  
  • The solution structure of homotrimetallic lanthanide helicates investigated with novel model-free multi-centre paramagnetic NMR methods
    N. Ouali, J.-P. Rivera, , J. Weber and C. Piguet
    Dalton Transactions, (7) (2003), p1251-1263
    DOI:10.1039/b212352e | unige:3505 | Abstract | Article HTML | Article PDF
 
  
  • Connecting Terminal Carboxylate Groups in Nine-Coordinate Lanthanide Podates: Consequences on the Thermodynamic, Structural, Electronic, and Photophysical Properties
    J.-M. Senegas, G. Bernardinelli, D. Imbert, J.-C.G. Bünzli, , J. Weber and C. Piguet
    Inorganic Chemistry, 42 (15) (2003), p4680-4695
    DOI:10.1021/ic034231t | unige:3236 | Abstract | Article HTML | Article PDF
 
  
 
  
 
  
 
  
  • Non-equilibrium charge recombination dynamics of excited donor-acceptor complexes
    O. Nicolet and E. Vauthey
    Trends in Optics and Photonics, 72 (2002), p78-79
    unige:3695
 
  
  • Analysis of paramagnetic NMR spectra of triple-helical lanthanide complexes with 2,6-dipicolinic acid revisited : a new assignment of structural changes and crystal-field effects 25 years later
    N. Ouali, B. Bocquet, S. Rigault, , J. Weber and C. Piguet
    Inorganic Chemistry, 41 (6) (2002), p1436-1445
    DOI:10.1021/ic010801i | unige:3223 | Abstract | Article HTML | Article PDF
  • Electron Paramagnetic Resonance, Optimization and Automatic Differentiation
    E.J. Soulié, C. Faure, T. Berclaz and M. Geoffroy
    in "Automatic Differentiation of Algorithms" Springer, New-York, (2002), p99-106
    unige:3401
  • Aromatic bent-core liquid crystals : an opportunity for introducing terdentate binding units into mesophases
    H. Nozary, J.-P. Rivera, P. Tissot, C. Piguet, , J. Weber, G. Bernardinelli, J.-C.G. Bünzli, R. Deschenaux, B. Donnio and D. Guillon
    Chemistry of Materials, 14 (3) (2002), p1075-1090
    DOI:10.1021/cm011162c | unige:3222 | Abstract | Article HTML | Article PDF
 
  • Dynamics of S2 Fluorescence Quenching and of Charge Recombination in the Resulting Ion Pair
    L. Engeli, A. Morandeira, P.-A. Muller and E. Vauthey
    in "Femtochemistry and Femtobiology" A. Douhal and J. Santamaria Eds., World Scientific Publishing: Singapore, (2002), p314
    unige:3779
  • Ultrafast Excited State Dynamics in Multiporphyrin Arrays
    A. Morandeira, E. Vauthey, A. Mongin and A. Gossauer
    in "Femtochemistry and Femtobiology" A. Douhal and J. Santamaria Eds., World Scientific Publishing: Singapore, (2002), p789
    unige:3780
  
  • Dynamic phenomena in barrelenephosphinyl radicals: a complementary approach by density matrix analysis of EPR spectra and DFT calculations
    M. Brynda, C. Dutan, T. Berclaz and M. Geoffroy
    Current Topics in Biophysics, 26 (1) (2002), p35-42
    unige:3230
  • Spin-densities in charge-transfer complexes derived from DFT calculations using an orbital-free embedding scheme for interacting subsystems.
    T.A. Wesolowski and J. Weber
    in "Recent Advances in Density Functional Methods, Vol. III, Proceedings of the DFT99 Conference, Rome, Italy, September 6-10th, 1999" V. Barone, A. Bencini, and P.Fantucci, Eds., World Scientific, III (2002), p371-386
    unige:4042
  • Intermolecular interaction energies from the total energy bi-functional. A case study of carbazole complexes.
    T.A. Wesolowski, and J. Weber
    Journal of Chemical Physics, 116 (15) (2002), p6411-6421
    DOI:10.1063/1.1462613 | unige:3235 | Abstract | Article HTML | Article PDF
 
  • ATR spectroscopy of thin films
    U.P. Fringeli, D. Baurecht, M. Siam, G. Reiter, M. Schwarzott, T. Bürgi and P. Brüesch
    in "Handbook of thin film materials, Volume 2: Characterization and spectroscopy of thin films" H. S. Nalwa, Academic Press, London, (2001)
    Article HTML
  
 
  
 
  
 
  
  • Theoretical prediction of IR spectra of guest molecules in zeolites : the stretching frequency of CO adsorbed at various cationic sites in ZSM-5
    T.A. Wesolowski, A. Goursot and J. Weber
    in "Studies in Surface Science and Catalysis" Proceedings of the 13th Int. Zeolite Conference, July 8-13, 2001, Montpellier, France, Elsevier (Amsterdam), (2001), p135
    unige:3784
  • Development of a tight-binding treatment for zeolites
    M. Elstner, A. Goursot, Z. Hajnal, T. Heine and J. Weber
    in "Studies in Surface Science and Catalysis" Proceedings of the 13th Int. Zeolite Conference, July 8-13, 2001, Montpellier, France, Elsevier (Amsterdam), (2001), p135
    unige:3785
 
  • Biphasic Behaviour in the High-Spin -> Low-Spin Relaxation of [Fe(btpa)](PF6)2 in solution (btpa = N,N,N',N'-Tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine)
    S. Schenker, P.C. Stein, J.A. Wolny, C. Brady, J.J. McGarvey, H. Toftlund and A. Hauser
    Inorganic Chemistry, 40 (1) (2001), p134-139
    DOI:10.1021/ic000656t | unige:3336 | Abstract | Article HTML | Article PDF
  
 
  

 
  
 
  • Coupled-cluster calculations on ferrocene and its protonated derivatives : the final word on the mechanism of protonation of ferrocene ?
    M.J. Mayor-Lopez, H.P. Lüthi, H. Koch, and J. Weber
    Journal of Chemical Physics, 113 (18) (2000), p8009-8014
    DOI:10.1063/1.1316031 | unige:3344 | Abstract | Article HTML | Article PDF | Article PS (gzipped)
  
 
  • Investigation of the Ultrafast Dynamics of Charge Recombination of Ion Pairs Using Multiplex Transient Grating Spectroscopy
    E. Vauthey
    in "Ultrafast Phenomena XII" (T. Elsaesser, S. Mukamel, M. M. Murnane and N.F. Scherer Eds), Springer: Berlin, (2000), p485
    unige:3786
  • Applications of Transient Grating Techniques for Investigating Ultrafast Processes
    E. Vauthey
    EPA Newsletter, 70 (2000), p30-57
    unige:3347

  
  • Air-stable crystalline primary phosphines and germanes : synthesis and crystal structures of dibenzobarellenephosphine and tribenzobarellenegermane
    M. Brynda, M. Geoffroy and G. Bernardinelli
    ChemComm, (11) (1999), p961-962
    DOI:10.1039/a901083a | unige:2735 | Abstract | Article PDF
  • Binding of Organic Cations to a Cyclophane Host As Studied with Molecular Dynamics Simulations and Free Energy Calculations
    M.A.L. Eriksson, and P.A. Kollman
    Journal of Physical Chemistry B, 103 (21) (1999), p4474-4480
    DOI:10.1021/jp983513p | unige:2937 | Abstract | Article HTML | Article PDF
 
  • Spin Transition in Fe(II) Compounds.
    P. Gütlich, A. Hauser and H. Spiering
    in "Inorganic Electronic Structure and Spectroscopy Vol 2" (E.I. Solomon, A.B.P. Lever eds.) Wiley, New York, (1999), p575
    unige:3787 | Abstract
  
  • Structure and reactivity of [Mo33S-(µS2)3]4+ complexes : quantum chemical calculations, X-ray structural characterization and Raman spectroscopic measurements
    M.J. Mayor-Lopez, J. Weber, K. Hegetschweiler, M.D. Meienberger, F. Joho, S. Leoni, R. Nesper, G.J. Reiss, W. Frank, B.A. Kolesov, V.P. Fedin and V.E. Fedorov
    Inorganic Chemistry, 37 (11) (1998), p2633-2644
    DOI:10.1021/ic971214t | unige:2956 | Abstract | Article HTML | Article PDF
  • Presentation of the Section for Chemical Research (SCR) of the New Swiss Chemical Society (NSCS)
    J. Weber
    Chimia, 52 (4) (1998), p154-155
    unige:2759 | Abstract | Article PDF
  • Applications of Density Functional Theory to Biological Systems
    T.A. Wesolowski and J. Weber
    in "Molecular Orbital Calculations Applied to Biochemical Systems" (A.-M. Sapse ed.), Oxford University Press, (1998), p85-132
  • Teaching Computational Chemistry
    J. Weber, and H.P. Lüthi
    in "Encyclopedia of Computational Chemistry" (P.v.R. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H.F. Schaefer and P.R. Schreiner, eds.), Wiley, Chichester, (1998), p2960
  • Investigation of the structural and acidic properties of bulk offretite using first principles molecular dynamics
    J. Weber, L. Campana, A. Selloni, A. Pasquarello, I. Papai and A. Goursot
    in "Thermodynamic Modeling and Materials Data Engineering" (J.P. Caliste, A. Truyol and J.H. Westbrook, eds.), Springer, Berlin, (1998), p129-134
  • Picosecond Time Resolved Dispersion Spectroscopy Using the Interference between Population and Thermal Phase Gratings
    C. Hoegemann and E. Vauthey
    Israel Journal of Chemistry, 3 (1998), p181
    unige:2947
  • Spin labelled dinucleosides
    J.M.J. Tronchet, E. Grand, M. Zsély, R. Giovannini and M. Geoffroy
    Carbohydrate Letters, 3 (3) (1998), p161-168
    unige:2768
  • Blocked sugar analogues bearing two or three N(sp3)-= bonds
    J.M.J. Tronchet, M. Koufaki, F. Barbalat-Rey and M. Geoffroy
    Carbohydrate Letters, 3 (4) (1998), p255-262
    unige:2769
  • Electron Paramagnetic Resonance studies of radicals and ions with a low-coordinated phosphorus atom
    M. Geoffroy
    Recent research developments in physical chemistry, 2 (4) (1998), p311-321
    unige:2770
 
  
  • Calculations of chemical processes in solution by density functional and other quantum mechanical techniques
    R.P. Muller, T.A. Wesolowski and A. Warshel
    in "Density functional methods: Applications in chemistry and materials science" M. Springborg, ed. John Wiley and Sons, Ltd., (1997), p189-206
    unige:3932
  • First-principles molecular dynamics investigations of the stability of zeolite offretite under various Si4+/(Al3+,H+) substitutions
    L. Campana, A. Selloni, J. Weber and A. Goursot
    Il Nuovo Cimento D, 19 (11) (1997), p1649-1655
    unige:2781
 
  
  • Spin labelled 2',3'-seconucleoside derivatives
    J.M.J. Tronchet, M. Zsély, D. Cabrini, F. Barbalat-Rey, N. Dolatshahi and M. Geoffroy
    Carbohydrate Letters, 2 (1997), p389-394
    unige:2805
 
  • Search for Past Life on Mars: Possible Relic Biogenic Activity in Martian Meteorite ALH84001
    D.S. McKay, E.K. Gibson Jr., K.L. Thomas-Keprta, H. Vali, C.S. Romanek, S.J. Clemett, X.F.D. Chillier, C.R. Maechling and R.N. Zare
    Science, 273 (5277) (1996), p924-930
    DOI:10.1126/science.273.5277.924 | unige:2970 | Abstract | Article HTML
  • ENDOR spectra of an X-irradiated single crystal of the R3P=CH-C(O)CH3 Wittig reagent
    T. Berclaz, M. Geoffroy, G. Rao and Z. Tancic
    Bulletin of Magnetic Resonance, 17 (1-4) (1996), p296-297
    unige:2836
  
  • Nucleosides and acyclonucleosides bearing a N-hydroxyureido group
    J.M.J. Tronchet, M. Zsély, M. Iznaden, F. Barbalat-Rey, M. Geoffroy and G. Bernardinelli
    Carbohydrate letters, 2 (1996), p101-108
    unige:2823
  • An NQR study of inclusion compounds formed between small chlorine-containing molecules and bis(N-alkylimidazolidine-2-thione)Cu(I) halide complexes
    Y.-N. Zhao, S. Ramaprabhu and E.A.C. Lucken
    Zeitschrift für Naturforschung A, 51 (1996), p677-685
    unige:2824
  • NQR and Mössbauer spectroscopy
    E.A.C. Lucken, F. Grandjean and G.J. Long
    in "Physical methods in supramolecular chemistry" Pergamon, New York, (1996), p225-276
    unige:3948
  • How much correlation can we expect to account for in density functional calculations ? Case studies of electrostatic properties of small molecules
    J. Weber, P. Jaber, P. Gulbinat and
    in "Strategies and Applications in Quantum Chemistry" (Y. Ellinger and M. Defranceschi, eds.), Kluwer, Dordrecht, (1996), p219
  • 1,2-Bis[2,4,6-tri-tert-butylphenyl]phosphanediylmethyl]benzene, L : synthesis and structure of L, of the chelated complex [PdLCl2] and of a derived cyclometallated chiral complex
    A. Jouaiti, M. Geoffroy and G. Bernardinelli
    ChemComm, (3) (1996), p437-438
    DOI:10.1039/CC9960000437 | unige:2838 | Abstract | Article PDF
  • Jet spectra of aromatic molecules in hydrogen-bonded microsolvent clusters
    A.G. Taylor, T. Bürgi and S. Leutwyler
    in "Jet Spectroscopy and Molecular Dynamics" J. M. Hollas and D. Phillips, Blackie academic & professional, London, (1995)
    Abstract
  • Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and Experiment
    and P.A. Kollman
    Journal of the American Chemical Society, 117 (22) (1995), p6057-6063
    DOI:10.1021/ja00127a019 | unige:2988 | Abstract | Article PDF
  • Teaching computational chemistry using computers
    J. Weber and
    Chimia, 49 (3) (1995), p77-83
    unige:2842 | Abstract | Article PDF
  • Synthesis of 3-aza-8-oxabicyclo[3.3.0]octane and 3-aza-9-oxabicyclo[4.3.0]nonane derivatives from D-glucose via retro-cope eliminations
    J.M.J. Tronchet, M. Zsély, R.N. Yazji, F. Barbalat-Rey and M. Geoffroy
    Carbohydrate letters, 1 (1995), p343-348
    unige:2846
  • Enantioselective hydrogenation of α -ketoesters : a molecular view on the enantio-differentiation
    A. Baiker, T. Mallat, B. Minder, O. Schwalm, K.E. Simons and J. Weber
    in "Chiral Reactions in Heterogeneous Catalysis" ( G. Jannes and V. Dubois eds.), Plenum, New York, (1995), p95
    unige:4049
  • Potential of cutin hydroxyacids as palaeoenvironmental molecular indicators
    O. Blum, S. Dong, A. Buchs and F.O. Gülaçar
    in "Organic Geochemistry: Developments and applications to energy, climate, environment and human history. Selected papers from the 17th Int. Meet. Org. Geochemistry, San Sebastian, 1995." (J.O. Grimalt & C. Dorronsoro, eds.), A.I.O.G.A., San Sebastian, (1995), p875-877
    unige:3789
  • High-temperature spectral hole burning on Samarium(II) in single crystals of the lead fluorohalide structure family and thin films of calcium fluoride
    H. Bill, R. Jaaniso, H. Hagemann, D. Lovy, A. Monnier and M. Schnieper
    Optical Engineering, 34 (8) (1995), p2333-2338
    DOI:10.1117/12.201813 | unige:3537 | Abstract | Article PDF
 
  • Raman Optical Activity of (β)-citronellene
    H. Hagemann, A. Lucken, D. Lovy and H. Bill
    in "Proc. XIV th Conference on Raman Spectroscopy" Eds. N.T. Yu, X.Y. Ku, J. Wiley and sons, Singapore, 14 (1994), p1072-1073
  • Radical intermediates in radiation chemistry of As, Sb and Bi compounds
    M. Geoffroy and T Berclaz
    in "Chem. Org. Arsenic, Antimony Bismuth Compd." Patai, Saul. (Wiley, Chichester), (1994), p511-525
  • Chemical reactivity and molecular shape interactions
    J. Weber, D. Stussi and
    in "New data challenges in our information age" CODATA, Ann Arbor, (1994)
  • The challenge of visualizing microscopic molecular worlds in chemical education
    J. Weber, A. Deloff, O. Schwalm, and P. Flükiger
    in "University education uses of visualization in scientific computing" North-Holland, Amsterdam, (1994), p9-24
  • Characterization of chlorins within a natural chlorin mixture using electrospray/ion trap mass spectrometry
    X.F.D. Chillier, G.J. Van Berkel, F.O. Gülaçar and A. Buchs
    Organic Mass Spectrometry, 29 (11) (1994), p672-678
  • Visualization in computational chemistry
    J. Weber, A. Deloff and P. Flükiger
    SPEEDUP, 8 (1) (1994), p63-70
  • N-alkylimidazolidine-2-thione dihalogenocuprate anions : preparation, structure and nuclear quadrupole resonance spectra
    S. Ramaprabhu, N. Amstutz, E.A.C. Lucken and G. Bernardinelli
    Journal of Chemical Research, Synopses, (1994), p368-369
  
  • The Nuclear Quadrupole Resonance of the 63,65Cu nuclei in Copper(I) complexes
    E.A.C. Lucken
    Zeitschrift für Naturforschung, Special Issue of the XII International Symposium on NQR, Zurich, July 19-23, 49a (1994), p155-166
  • Picosecond Transient Grating Spectroscopy: An Application of Holography for Investigating Ultrafast Photoinduced Processes
    E. Vauthey, Y. Pariat and A. Henseler
    Chimia, 48 (9) (1994), p397-400
    unige:3001 | Abstract | Article PDF
  • Enantioselective hydrogenation of a-ketoesters over Pt/alumina modified with cinchonidine : theoretical investigation of the substrate-modifier interaction
    O. Schwalm, B. Minder, J. Weber and A. Baiker
    Catalysis Letters, 23 (3-4) (1994), p271-279
    DOI:10.1007/BF00811362 | Abstract | Article PDF
  • Cooperative Formation of Inorganic-Organic Interfaces in the Synthesis of Silicate Mesostructures
    A. Monnier, F. Schüth, Q. Huo, D. Kumar, D. Margolese, R.S. Maxwell, G.D. Stucky, M. Krishnamurty, P. Petroff, A. Firouzi, M. Janicke and B.F. Chmelka
    Science, 261 (5126) (1993), p1299-1303
    DOI:10.1126/science.261.5126.1299 | Abstract | Article PDF
 
  • The Jahn-Teller systems Ag2+ and Ca2+ in RbCdF3. An EPR investigation
    E. Minner and H. Bill
    in "Proc. XIIth Int. Conf. on Defects in Insulating Materials" G. Kanert, J.M. Spaeth, (1993), p571-579
  • Cu+ Luminescent centers in CaF2
    C. Pedrini, B. Moine and H. Bill
    in "Proc. XIIth Int. Conf. on Defects in Insulating Materials" G. Kanert, J.M. Spaeth, (1993), p593-595
  • Two-photon Spectroscopy of Sm2+ in SrF2: Polarization dependances of 7F05DJ Transition
    J.C. Gâcon, G.W. Burdick, B. Moine and H. Bill
    in "Proc. XIIth Int. Conf. on Defects in Insulating Materials" G. Kanert, J.M. Spaeth, (1993), p1306-1308
  • Inhomogeneous broadening and spectral hole burning in SryBa1-yFClxBr1-x
    R. Jaaniso, H. Hagemann and H. Bill
    Technical Digest Opt. Soc. America, (1993)
    unige:3015
  • Computer-aided design of organometallic compounds : a semi-empirical approach of their structure and reactivity
    J. Weber, F. Savary, D. Stussi and
    in "Computers and applied chemistry" Science Press, Beijing, (1993), p36-43
  • A Theoretical Study of the Vibrational Dependence of the Nuclear Quadrupole Coupling Constants of some Diatomic Molecules
    E.A.C. Lucken
    Zeitschrift für Naturforschung, Special Issue of the XII International Symposium on NQR, Zurich, July 19-23, 49a (1993), p133-136
  • Theoretical investigation of the electronic structure of the mixed-sandwich complex (h5-cyclopentadienyl)(h6-benzene)iron and its cation
    A. Le Beuze, R. Lissillour and J. Weber
    Organometallics, 12 (1) (1993), p47-55
    DOI:10.1021/om00025a013 | Abstract | Article PDF
  • Synthesis, structure and ligand-centred reduction of an orthometallated complex of palladium containing two phosphaalkene groups
    A. Jouaiti, M. Geoffroy, G. Terron and G. Bernardinelli
    ChemComm, (2) (1992), p155-156
    DOI:10.1039/C39920000155 | Abstract | Article PDF
  • Radiation damage in carnidazole : a single crystal EPR study
    T. Berclaz, G. Bernardinelli, M. Geoffroy and N. Rajalakshmi
    Chimia, 46 (4) (1992), p130-132
    Abstract | Article PDF
  • NQR studies of inclusion compounds
    E.A.C. Lucken
    in "Spectroscopic and computational studies of supramolecular systems" ed. by J.E.D. Davies. Dordrecht, (1992), p61-82
  • An NQR and calorimetric study of a phase transition in tetrakis(?-phenylethylamine)-bis(isothiocyanato)nickel(II)/ortho-dichlorobenzene clathrate
    L. Pang, E.A.C. Lucken and P. Tissot
    Zeitschrift für Naturforschung A, 47 (1-2) (1992), p251-253
  • Molecular graphics and chemistry
    J. Weber, P. Flükiger and
    Educational media international, 29 (4) (1992), p247-253
  • Members of the PbFCl-type family : possible candidates for room-temperature photochemical hole burning
    R. Jaaniso, H. Hagemann, F. Kubel and H. Bill
    Chimia, 46 (4) (1992), p133-137
    unige:2908 | Abstract | Article PDF
  • An EPR and ab initio study of a phosphaalkene radical anion and comparison with other phosphorus-containing radical ions
    M. Geoffroy, G. Terron, A. Jouaiti, P. Tordo and Y. Ellinger
    Bulletin of Magnetic Resonance, 14 (1-4) (1992), p229-233
  • Development and applications of an extended-Hückel-based reactivity index for organometallic complexes
    J. Weber, D. Stussi, P. Flükiger, and E.P. Kündig
    Comments on inorganic chemistry, 14 (1) (1992), p27-62
    DOI:10.1080/02603599208048656 | Abstract | Article PDF
  • Oxidation reaction in X-irradiated bis(ethylenediamine)platinum(II) bis(hydrogen squarate) : a single crystal EPR study of a platinum(III) complex
    G. Bernardinelli, P. Castan, H. Chermette, D. Deguenon, M. Geoffroy, S. Nour, J. Weber and M. Wermeille
    Inorganic Chemistry, 31 (24) (1992), p5056-5060
    DOI:10.1021/ic00050a025 | Abstract | Article PDF
  • Computer modeling of the activation processes of the aromatic nucleophilic substitution mechanism
    , P. Flükiger and J. Weber
    Journal de Chimie Physique et de Physico-Chimie Biologique, 89 (1992), p1723
  • Experimental and theoretical investigation of asymmetric induction in the synthesis of disubstituted cyclohexadienes via chiral benzene chromium complexes
    G. Bernardinelli, A.F. Cunningham, C. Dupré, E.P. Kündig, D. Stussi and J. Weber
    Chimia, 46 (4) (1992), p126-129
    unige:2932 | Abstract
  • Molecular graphics investigation of the addition of nucleophiles to (η4:butadiene) M(CO)3 complexes (M=Fe,Co+)
    J. Weber, and O. Eisenstein
    Journal of Molecular Structure: THEOCHEM, 254 (1992), p343-357
    DOI:10.1016/0166-1280(92)80079-2 | Abstract | Article PDF
  • Estimation of free energy systematic errors of globular proteins surrounded by finite water clusters
    T.A. Wesolowski
    Molecular Simulation, 6 (1991), p175
  • Base hydrolysis of acidato pentaamine complexes with inert metal centers: electronic structure of the intermediates, requirements for their formation, and the unique reactivity of the complexes of cobalt(III)
    F.P. Rotzinger, J. Weber and C. Daul
    Helvetica Chimica Acta, 74 (6) (1991), p1247-1263
    DOI:10.1002/hlca.19910740613 | Abstract | Article PDF
  • Recent developments in molecular graphics : visualization of chemical structures and properties
    J. Weber, , P. Flükiger and A. Goursot
    The Visual Computer, 7 (2-3) (1991), p158-169
    DOI:10.1007/BF01901186 | Abstract | Article PDF
  • Calculation and visualization of a reactivity index for organometallics based on the extended Hückel model
    J. Weber, P. Flükiger, D. Stussi and
    Journal of Molecular Structure: THEOCHEM, 227 (1991), p175-185
    DOI:10.1016/0166-1280(91)85282-C | Abstract | Article PDF
  
  • Modeling of organometallic reactivity using a combination of extended Hueckel and molecular graphics techniques
    , P. Flükiger, J. Weber and E.P. Kündig
    Studies in Physical and Theoretical Chemistry, 71 (1990), p313-321
 
  • Unusual behavior of the Gd ESR in single crystals of GdyY1-yBa2Cu3O6+x with x=0.1-0.8 and y=0.03-0.06: evidence for a magnetic interaction in the superconductors
    D. Shaltiel, S.E. Barnes, H. Bill, M. François, H. Hagemann, J. Jegondaz, D. Lovy, P. Monod, M. Peter, A. Revcolevschi, W. Sadowski and E. Walker
    Physica C: Superconductivity, 161 (1) (1989), p13-20
    DOI:10.1016/0921-4534(89)90036-1 | unige:3071 | Abstract | Article PDF
  • Low temperature Raman study of the thermochromic crystal (C2H5NH3)2CuCl4(EACuC)
    H. Hagemann and H. Bill
    in "Proc. Int. Conf. Raman Spectroscopy XI" Eds. R.J.H. Clark and D.A. Long, 11 (1988), p451-452
  • Structure and analysis of the binding energy of the copper carbonyl ion CuCO+ complex: an ab initio study
    and J. Weber
    Journal of Molecular Structure: THEOCHEM, 166 (1988), p247-252
    DOI:10.1016/0166-1280(88)80444-5 | Abstract | Article PDF
  • The modeling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques
    J. Weber, P. Flükiger, , O. Schaad, A. Goursot and C. Daul
    Journal of Computer-Aided Molecular Design, 2 (3) (1988), p235-253
    DOI:10.1007/BF01531997 | Abstract | Article PDF
  • Theoretical and ESR/ENDOR single-crystal study of an azaallyl radical
    M.V.V.S. Reddy, A. Celalyan-Berthier, M. Geoffroy, , J. Weber and G. Bernardinelli
    Journal of the American Chemical Society, 110 (9) (1988), p2748-2753
    DOI:10.1021/ja00217a009 | Abstract | Article PDF
  • Stereospecific and unspecific pathways for aromatization of 1,4 cyclohexadienes
    P. Müller, N. Pautex and H. Hagemann
    Chimia, 42 (1988), p414
    unige:3080
  • Comparison of Photoinduced Electron-Transfer Reactions of Aromatic Carbonyl vs. Cyano-Compounds with Electron Donors in Condensed Phase: the Importance of the Spin State of the Geminate Ion Pair for Obtaining High Ion Yield
    E. Haselbach, E. Vauthey and P. Suppan
    Tetrahedron, 44 (24) (1988), p7335-7344
    DOI:10.1016/S0040-4020(01)86228-1 | unige:3074 | Abstract
  • High-spin -> low-spin relaxation kinetics and cooperative effects in the hexakis(1-propyltetrazole)iron bis(tetrafluoroborate) and [Zn1-xFex(ptz)6](BF4)2 (ptz = 1-propyltetrazole) spin-crossover systems
    A. Hauser, P. Gütlich and H. Spiering
    Inorganic Chemistry, 25 (23) (1986), p4245-4248
    DOI:10.1021/ic00243a036 | unige:3095 | Abstract | Article PDF
  • EPR studies on ReO4 in alkali halide crystals: intramolecular E ⊗ e type static Jahn-Teller effect
    Y. Ravi Sekhar and H. Bill
    Pproc. XXiith Ampère Congress Zürich, 22 (1984), p198-201
  • EPR of Cu2+ in NaF and KZnF3 
    G. Magne and H. Bill
    Proc. XXIIth Ampère Congress Zürich, 22 (1984), p661-664
  • Observation of the Jahn-Teller effect with electron paramagnetic resonance
    H. Bill
    in "The dynamical Jahn-Teller effect in localized systems" Yu E. Perlin, M. Wagner, North Holland, Amsterdam, (1984)
  
  • A Jahn-Teller model of the S- ion in KCl and KBr crystals
    H. Bill, L. Schwan and E. Siegmund
    Comptes Rendus SPHN Genève, 13 (1978), p23
  • EPR investigation of the 4d1 ion Y2+ in CaF2 crystals
    C. Balestra and H. Bill
    in "Proc. XVIIIth Colloque Ampère" Notthingham, 18 (1974), p155-156
  • Measurements of the magnetoelectric effect in Ni-Cl boracite
    J.P. Rivera, H. Schmid, J.M. Moret and H. Bill
    International Journal of Magnetism, 6 (1974), p1
  • EPR Study of the Ag2+ ion in SrCl2 
    H. Bill, C. Milleret and R. Lacroix
    in "Proc. XVIIth Colloque Ampère" Ed. V. Hovi, 17 (1973), p233-236
  • Resolved Electron Phonon Interaction observed in the optical absorption spectrum of a colour centre in CaF2
    H. Bill
    in "Proc. XVIth Colloque Ampère" Ed. I. Ursu, 16 (1971), p929-932
  • A Vk centre in SrFCl Crystals
    H. Bill, J.M. Moret and R. Lacroix
    in "Proc. XVth Colloque Ampère" Ed. R. Averbuch, 15 (1969), p323-325
  • Investigations on colour centres in alcaline earth fluorides
    H. Bill
    Helvetica Physica Acta, 42 (1969), p771
  • Investigation on different centres in CaF2 crystal
    H. Bill and R. Lacroix
    in "Proc. XIVth Colloque Ampère" Editor R. Blinc, 14 (1967), p262-268

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