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Journal Article
- 2017
  - Kumar, Roopender ; Krieger, Jean-Philippe ; Gómez-Bengoa, Enrique ; Fox, Thomas ; Linden, Anthony ; Nevado, Cristina (2017). The first gold(III) formate: evidence for β-hydride elimination. Angewandte Chemie Internationale Edition, 56(42):12862-12865.
  - Ruggeri, Francesca ; Krishnan, Madhavi (2017). Lattice diffusion of a single molecule in solution. Physical review. E, 96:062406.
  - Latino, Diogo A. R. S ; Wicker, Jörg ; Gütlein, Martin ; Schmid, Emanuel ; Kramer, Stefan ; Fenner, Kathrin (2017). Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data. Environmental Science: Processes, 19(3):449-464.
  - Lee, Minju ; Blum, Lorenz C ; Schmid, Emanuel ; Fenner, Kathrin ; von Gunten, Urs (2017). A computer-based prediction platform for the reaction of ozone with organic compounds in aqueous solution: kinetics and mechanisms. Environmental Science: Processes, 19(3):465-476.
  - Pastor, Ernest ; Le Formal, Florian ; Mayer, Matthew T ; Tilley, S David ; Francàs, Laia ; Mesa, Camilo A ; Grätzel, Michael ; Durrant, James R (2017). Spectroelectrochemical analysis of the mechanism of (photo)electrochemical hydrogen evolution at a catalytic interface. Nature Communications, 8:14280.
  - Septina, Wilman ; Prabhakar, Rajiv Ramanujam ; Wick, René ; Moehl, Thomas ; Tilley, S David (2017). Stabilized Solar Hydrogen Production with CuO/CdS Heterojunction Thin Film Photocathodes. Chemistry of Materials, 29(4):1735-1743.
  - Abbott, Daniel F ; Meier, Margrith ; Meseck, Georg R ; Fabbri, Emiliana ; Seeger, Stefan ; Schmidt, Thomas J (2017). Silicone Nanofilament-Supported Mixed Nickel-Metal Oxides for Alkaline Water Electrolysis. Journal of the Electrochemical Society, 164(4):F203-F208.
  - Ohno, Koichi ; Kishimoto, Naoki ; Iwamoto, Takeaki ; Satoh, Hiroko (2017). Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3 CNO3. Journal of Computational Chemistry, 38(10):669-687.
  - Musso, Tiziana ; Kumar, Priyank V ; Grossman, Jeffrey C ; Foster, Adam S (2017). Engineering efficient p-Type TMD/Metal contacts using fluorographene as a buffer layer. Advanced electronic materials, 3(6):1600318.
  - Linden, Anthony (2017). Best practice and pitfalls in absolute structure determination. Tetrahedron: Asymmetry, 28(10):1314-1320.
  - Otlyotov, Arseniy A ; Lamm, Jan-Hendrik ; Blomeyer, Sebastian ; Mitzel, Norbert W ; Rybkin, Vladimir V ; Zhabanov, Yuriy A ; Tverdova, Natalya V ; Giricheva, Nina I ; Girichev, Georgiy V (2017). Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics (PCCP), 19(20):13093-13100.
  - Rybkin, Vladimir V (2017). Franck–Condon theory of quantum mechanochemistry. Journal of Physical Chemistry. A, 121(30):5758-5762.
  - Wilhelm, Jan ; Hutter, Jürg (2017). Periodic GW calculations in the Gaussian and plane-waves scheme. Physical review. B, 95(23):235123.
  - Galib, Mirza ; Duignan, Timothy T ; Misteli, Yannick ; Baer, Marcel D ; Schenter, Gregory K ; Hutter, Jürg ; Mundy, Christopher J (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. Journal of Chemical Physics, 146(24):244501.
  - Wang, Jiaqi ; Bardelli, Marco ; Espinosa, Diego A ; Pedotti, Mattia ; Ng, Thiam-Seng ; Bianchi, Siro ; Simonelli, Luca ; Lim, Elisa X.Y ; Foglierini, Mathilde ; Zatta, Fabrizia ; Jaconi, Stefano ; Beltramello, Martina ; Cameroni, Elisabetta ; Fibriansah, Guntur ; Shi, Jian ; Barca, Taylor ; Pagani, Isabel ; Rubio, Alicia ; Broccoli, Vania ; Vicenzi, Elisa ; Graham, Victoria ; Pullan, Steven ; Dowall, Stuart ; Hewson, Roger ; Jurt, Simon ; Zerbe, Oliver ; Stettler, Karin ; Lanzavecchia, Antonio ; Sallusto, Federica ; Cavalli, Andrea ; Harris, Eva ; Lok, Shee-Mei ; Varani, Luca ; Corti, Davide (2017). A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential. Cell, 171(1):229-241.e15.
  - Ravat, Prince ; Hinkelmann, Rahel ; Steinebrunner, David ; Prescimone, Alessandro ; Bodoky, Ina ; Juricek, Michal (2017). Configurational Stability of [5]Helicenes. Organic Letters, 19(14):3707-3710.
  - Pechlaner, Maria ; Dominguez-Martin, Alicia ; Sigel, Roland K O (2017). Influence of pH and Mg(ii) on the catalytic core domain 5 of a bacterial group II intron. Dalton Transactions, 46(12):3989-3995.
  - Choudhary, Pallavi K ; Gallo, Sofia ; Sigel, Roland K O (2017). Tb3+-Cleavage Assays Reveal Specific Mg2+ Binding Sites Necessary to Pre-fold the btuB Riboswitch for AdoCbl Binding. Frontiers in Chemistry, 5:598.
  - Sharma, Rajni ; Ghasparian, Arin ; Robinson, John A ; McCullough, Kenneth C (2017). Dendritic cell sensing of hydrophobic di- and triacylated lipopeptides self-assembled within synthetic virus-like particles. Journal of Immunology, 199(2):734-749.
  - Zerbe, Katja ; Moehle, Kerstin ; Robinson, John A (2017). Protein epitope mimetics: from new antibiotics to supramolecular synthetic vaccines. Accounts of chemical research, 50(6):1323-1331.
  - Le, Jiabo ; Iannuzzi, Marcella ; Cuesta, Angel ; Cheng, Jun (2017). Determining potentials of zero charge of metal electrodes versus the standard hydrogen electrode from density-functional-theory-based molecular dynamics. Physical Review Letters, 119(1):016801.
  - Palacios, Oscar ; Jimenez-Marti, Elena ; Niederwanger, Michael ; Gil-Moreno, Selene ; Zerbe, Oliver ; Atrian, Silvia ; Dallinger, Reinhard ; Capdevila, Merce (2017). Analysis of metal-binding features of the wild type and two domain-truncated mutant variants of littorina littorea metallothionein reveals its Cd-specific character. International Journal of Molecular Sciences, 18:1452.
  - Niederwanger, Michael ; Calatayud, Sara ; Zerbe, Oliver ; Atrian, Silvia ; Albalat, Ricard ; Capdevila, Merce ; Palacios, Oscar ; Dallinger, Reinhard (2017). Biomphalaria glabrata metallothionein: lacking metal specificity of the protein and missing gene upregulation suggest metal sequestration by exchange instead of through selective binding. International Journal of Molecular Sciences, 18:1457.
  - Ali, Korany A ; Mloston, Grzegorz ; Urbaniak, Katarzyna ; Linden, Anthony ; Heimgartner, Heinz (2017). [3+2]-Cycloadditions of nitrilimines with heteroaryl thioketones. Journal of Sulfur Chemistry, 38(6):604-613.
  - Golze, Dorothea ; Benedikter, Niels ; Iannuzzi, Marcella ; Wilhelm, Jan ; Hutter, Jürg (2017). Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals. Journal of Chemical Physics, 146(3):034105.
  - Ertan, Emelie ; Kimberg, Victor ; Gel'mukhanov, Faris ; Hennies, Franz ; Rubensson, Jan-Erik ; Schmitt, Thorsten ; Strocov, Vladimir N ; Zhou, Kejin ; Iannuzzi, Marcella ; Föhlisch, Alexander ; Odelius, Michael ; Pietzsch, Annette (2017). Theoretical simulations of oxygen K -edge resonant inelastic x-ray scattering of kaolinite. Physical review. B, 95(14):144301.
  - Golze, Dorothea ; Iannuzzi, Marcella ; Hutter, Jürg (2017). Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation, 13(5):2202-2214.
  - Barman, Samir ; Remhof, Arndt ; Koitz, Ralph ; Iannuzzi, Marcella ; Blacque, Olivier ; Yan, Yigang ; Fox, Thomas ; Hutter, Jürg ; Züttel, Andreas ; Berke, Heinz (2017). Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon. Chemistry - A European Journal, 23(37):8823-8828.
  - Kachmar, Ali ; Carignano, Marcelo ; Laino, Teodoro ; Iannuzzi, Marcella ; Hutter, Jürg (2017). Mapping the free energy of lithium solvation in the protic ionic liquid Ethylammonuim Nitrate: A metadynamics study. ChemSusChem, 10:3083-3090.
  - Graf, Manuel ; Mette, Gerson ; Leuenberger, Dominik ; Gurdal, Yeliz ; Iannuzzi, Marcella ; Zabka, Wolf-Dietrich ; Schnidrig, Stephan ; Probst, Benjamin ; Hutter, Jürg ; Alberto, Roger ; Osterwalder, Jürg (2017). The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110). Nanoscale, 9(25):8756-8763.
  - Kowalski, Marcin K ; Obijalska, Emilia ; Mloston, Grzegorz ; Heimgartner, Heinz (2017). Generation and reactions of thiocarbonyl S-(2,2,2-trifluoroethanides). Synthesis of trifluoromethylated 1,3-dithiolanes, thiiranes and alkenes. Journal of Fluorine Chemistry, 200:102-108.
  - Baumann, Christian ; Beil, Andrea ; Jurt, Simon ; Niederwanger, Michael ; Palacios, Oscar ; Capdevila, Merce ; Atrian, Silvia ; Dallinger, Reinhard ; Zerbe, Oliver (2017). Structural adaptation of a protein to increased metal stress: NMR structure of a marine snail metallothionein with an additional domain. Angewandte Chemie Internationale Edition, 129(16):4688-4693.
  - Li, Jingyi ; Wäckerlin, Christian ; Schnidrig, Stephan ; Joliat, Evelyne ; Alberto, Roger ; Ernst, Karl-Heinz (2017). On-Surface Metalation and 2D Self-Assembly of Pyrphyrin Molecules Into Metal-Coordinated Networks on Cu(111). Helvetica Chimica Acta, 100(1):e1600278.
  - Vugts, Danielle J ; Klaver, Chris ; Sewing, Claudia ; Poot, Alex J ; Adamzek, Kevin ; Huegli, Seraina ; Mari, Cristina ; Visser, Gerard W M ; Valverde, Ibai E ; Gasser, Gilles ; Mindt, Thomas L ; van Dongen, Guus A M S (2017). Comparison of the octadentate bifunctional chelator DFO*-pPhe-NCS and the clinically used hexadentate bifunctional chelator DFO-pPhe-NCS for 89Zr-immuno-PET. European Journal of Nuclear Medicine and Molecular Imaging, 44(2):286-295.
  - Basu Baul, Tushar S ; Kehie, Pelesakuo ; Höpfl, Herbert ; Duthie, Andrew ; Eng, George ; Linden, Anthony (2017). Organotin(IV) complexes derived from proteinogenic amino acid: synthesis, structure and evaluation of larvicidal efficacy on Anopheles stephensi mosquito larvae. Applied Organometallic Chemistry, 31(1):e3547.
  - Garayalde, David ; Rusconi, Giulia ; Nevado, Cristina (2017). A gold- and brønsted acid catalytic interplay towards the synthesis of highly substituted tetrahydrocarbazoles. Helvetica Chimica Acta, 100(3):e1600333.
  - von Allmen, Kim D ; Grundmann, Henrik ; Linden, Anthony ; Patzke, Greta R (2017). Synthesis and characterization of 0D–3D copper-containing tungstobismuthates obtained from the lacunary precursor Na$_9$[B-$\alpha$-BiW$_9$O$_{33}$]. Inorganic Chemistry, 56(1):327-335.
  - Saddiqi, Naeem-ul-Hasan ; Patra, Debabrata ; Seeger, Stefan (2017). Hydroxyapatite biomineralization on functionalized silicone nanofilaments. Colloid and Interface Science Communications, 16:1-5.
  - Meier, Margrith ; Suppiger, Angela ; Eberl, Leo ; Seeger, Stefan (2017). Functional silver-silicone-nanofilament-composite material for water disinfection. Small, 13(4):1601072.
  - Linden, Anthony (2017). Acta Crystallographica Section C is making an impact. Acta Crystallographica. Section C: Structural Chemistry, 73(1):1.
  - Sosso, Gabriele Cesare ; Caravati, Sebastiano ; Rotskoff, Grant ; Vaikuntanathan, Suriyanarayanan ; Hassanali, Ali A (2017). On the role of non-spherical cavities in short length-scale density fluctuations in water. Journal of Physical Chemistry. A, 121(1):370-380.
  - Cao, Qian ; Li, Yi ; Freisinger, Eva ; Qin, Peter Z ; Sigel, Roland K O ; Mao, Zong-Wan (2017). G-quadruplex DNA targeted metal complexes acting as potential anticancer drugs. Inorganic Chemistry Frontiers, 4(1):10-32.
  - Mloston, Grzegorz ; Grzelak, Paulina ; Heimgartner, Heinz (2017). Hetero-Diels–Alder reactions of hetaryl thiochalcones with acetylenic dienophiles. Journal of Sulfur Chemistry, 38(1):1-10.
  - Mloston, Grzegorz ; Pipiak, Paulina ; Heimgartner, Heinz (2017). [3+2] cycloadditions of n-protected ‘(s)-diazoproline’ with selected acetylenes. Heterocycles, 95(1):223-231.
  - Kowalski, Marcin K ; Mloston, Grzegorz ; Obijalska, Emilia ; Heimgartner, Heinz (2017). Application of diethyl ethynylphosphonate to the synthesis of 3-phosphonylated beta-lactams via the Kinugasa reaction. ARKIVOC - Online Journal of Organic Chemistry, (ii):59-67.
Book Section
- 2018
  - Alzeer, Jawad ; Arafeh, Rami ; Al-Gubory, Kaïs Hussain (2018). Antioxidants in the Prevention and Treatment of Cancer. In: Al-Gubory, Kaïs Hussain ; Laher, Ismail . Nutritional Antioxidant Therapies: Treatments and Perspectives. Switzerland: Springer, 493-521.
  - Hutter, Jürg ; Wilhelm, Jan ; Rybkin, Vladimir V ; Ben, Mauro Del ; VandeVondele, Joost (2018). MP2- and RPA-Based Ab Initio Molecular Dynamics and Monte Carlo Sampling. In: Andreoni, Wanda ; Yip, S . Handbook of Materials Modeling: Methods: Theory and Modeling. Cham: Springer, Epub ahead of print.
  - Simonelli, Luca ; Pedotti, Mattia ; Bardelli, Marco ; Jurt, Simon ; Zerbe, Oliver ; Varani, Luca (2018). Mapping Antibody Epitopes by Solution NMR Spectroscopy: Practical Considerations. In: Rockberg, Johan ; Nilvebrant, Johan . Epitope Mapping Protocols. Berlin: Springer, 29-51.
- 2017
  - Palou-Mir, Joana ; Barceló-Oliver, Miquel ; Sigel, Roland K O (2017). The Role of Lead(II) in Nucleic Acids. In: Sigel, Astrid ; Sigel, Helmut ; Sigel, Roland K O . Lead: Its Effects on Environment and Health. Berlin: De Gruyter, 403-434.
Conference or Workshop item
- 2017
  - Lazzaro, Alfio ; VandeVondele, Joost ; Hutter, Jürg ; Schütt, Ole (2017). Increasing the efficiency of sparse matrix-matrix multiplication with a 2.5D algorithm and one-sided MPI. In: PASC17, Lugano, 26 June 2017 - 28 June 2017, 1-9.

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