Publications

 
  • Defect structure and electrical conductivity in the Bi3+xNb0.8W0.2O7.1+3x/2 system
    Borowska-Centkowska A Kario A Krok F Abrahams I Chan SCM Liu X Hull S
    Solid State Ionics vol. 181 (39-40), 1750-1756.  
    20-12-2010
  • Energy landscapes associated with macromolecular conformational changes from endpoint structures
    Fornili A Giabbai B
    Journal of The American Chemical Society, American Chemical Society vol. 132 (49), 17570-17577.  
    15-12-2010
  • A Highly Para‐Selective Copper(II)‐Catalyzed Direct Arylation of Aniline and Phenol Derivatives
    Ciana C Phipps RJ Brandt JR Meyer F Gaunt MJ
    Angewandte Chemie International Edition, Wiley vol. 50 (2), 458-462.  
    07-12-2010
  • In silico phosphorylation of the autoinhibited form of p47phox: Insights into the mechanism of activation
    Autore F Pagano B Fornili A
    Biophysical Journal, Elsevier/Science Direct vol. 99 (11), 3716-3725.  
    01-12-2010
  • Expedient Synthesis of a Stereoisomer of Acremolide B
    ElMarrouni A Fukuda A Arseniyadis S Cossy J
    The Journal of Organic Chemistry, American Chemical Society (Acs) vol. 75 (24), 8478-8486.  
    24-11-2010
  • Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E Di Tommaso D de Leeuw NH
    Phys Chem Chem Phys vol. 12 (41), 13804-13815.  
    07-11-2010
  • Reticulated heterojunctions for photovoltaic devices.
    Gorodetsky AA Chiu C-Y Schiros T Palma M Cox M Jia Z Sattler W Kymissis I et al.
    Angew Chem Int Ed Engl vol. 49 (43), 7909-7912.  
    18-10-2010
  • First principles simulations of the structural and dynamical properties of hydrated metal ions Me2+ and solvated metal carbonates (Me = Ca, Mg and Sr)
    DI TOMMASO D de Leeuw NH
    Crystal Growth and Design vol. 10, 4292-4302.  
    01-09-2010
  • Synthesis of Highly Magnetic Iron Carbide Nanoparticles via a Biopolymer Route
    Schnepp Z Wimbush SC Antonietti M Giordano C
    Chemistry of Materials, American Chemical Society (Acs) vol. 22 (18), 5340-5344.  
    24-08-2010
  • Two Concise Total Syntheses of (−)-Bitungolide F
    ElMarrouni A Joolakanti SR Colon A Heras M Arseniyadis S
    Organic Letters, American Chemical Society (Acs) vol. 12 (18), 4074-4077.  
    20-08-2010
  • A Combined Total Scattering and Simulation Approach to Analyzing Defect Structure in Bi3YO6
    Abrahams I Liu X Hull S Norberg ST Krok F
    Chem Mater vol. 22 (15), 4435-4445.  
    10-08-2010
  • Ionic Liquid Monomers and Polymers as Precursors of Highly Conductive, Mesoporous, Graphitic Carbon Nanostructures
    Yuan J Giordano C Antonietti M
    Chemistry of Materials, American Chemical Society (Acs) vol. 22 (17), 5003-5012.  
    09-08-2010
  • Biotemplating of Metal Carbide Microstructures: The Magnetic Leaf
    Schnepp Z Yang W Antonietti M Giordano C
    Angewandte Chemie International Edition, Wiley vol. 49 (37), 6564-6566.  
    28-07-2010
  • Biotemplating of Metal Carbide Microstructures: The Magnetic Leaf
    Schnepp Z Yang W Antonietti M Giordano C
    Angewandte Chemie, Wiley vol. 122 (37), 6714-6716.  
    27-07-2010
  • Iron Carbide: An Ancient Advanced Material
    Giordano C Kraupner A Wimbush SC Antonietti M
    Small, Wiley vol. 6 (17), 1859-1862.  
    26-07-2010
  • An ab initio molecular dynamics study of bioactive phosphate glasses
    Tang E DI TOMMASO D
    Advanced Engineering Materials, Wiley Online vol. 12 (7), B331-B338.  
    22-07-2010
  • Persistently Folded Circular Aromatic Amide Pentamers Containing Modularly Tunable Cation-Binding Cavities with High Ion Selectivity
    Qin B Ren CL Ye RJ Sun C Chiad K Chen XY Li Z Chass GA
    J Am Chem Soc vol. 132 (28), 9564-9566.  
    21-07-2010
  • Stereoselective Synthesis of the C1−C11 and C12−C34 Fragments of Mycalolide A
    Hoffman TJ Kolleth A Rigby JH Arseniyadis S
    Organic Letters, American Chemical Society (Acs) vol. 12 (15), 3348-3351.  
    15-07-2010
  • Structural and electrical properties of Bi3Nb1-xErxO7-x
    Leszczynska M Holdynski M Abrahams I Wrobel W
    Solid State Ionics vol. 181 (17-18), 796-811.  
    17-06-2010
  • Metathesis in Natural Product Synthesis: Strategies, Substrates and Catalysts
    Cossy J Arseniyadis S Meyer C
     
    07-06-2010
  • Preface
    Cossy J Arseniyadis S
     
    07-06-2010
  • Interactions between organophosphonate-bearing solutions and {1014} calcite surfaces. An Atomic Force Microscopy and First-Principles Molecular Dynamics Study.
    Ruiz-Agudo E DI TOMMASO D Putnis A
    Cryst. Growth Des. vol. 10, 3022-3035.  
    04-06-2010
  • High‐Surface‐Area Nanoporous Boron Carbon Nitrides for Hydrogen Storage
    Portehault D Giordano C Gervais C Senkovska I Kaskel S Sanchez C Antonietti M
    Advanced Functional Materials, Wiley vol. 20 (11), 1827-1833.  
    31-05-2010
  • Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B
    Nicolaou KC Ortiz A Zhang H Dagneau P Jennings MP
    Journal of The American Chemical Society, American Chemical Society (Acs) vol. 132 (20), 7138-7152.  
    05-05-2010
  • Geometric, electronic and elastic properties of dental silver amalgam gamma-(Ag3Sn), gamma(1)-(Ag2Hg3), gamma(2)-(Sn8Hg) phases, comparison of experiment and theory
    Davies RA Ardalan S Mu WH Farsaikiya F Darvell BW
    Intermetallics vol. 18 (5), 756-760.  
    01-05-2010
  • Stable Iron Carbide Nanoparticle Dispersions in [Emim][SCN] and [Emim][N(CN)2] Ionic Liquids
    Khare V Kraupner A Mantion A Jeličić A Thünemann AF Giordano C Taubert A
    Langmuir, American Chemical Society (Acs) vol. 26 (13), 10600-10605.  
    28-04-2010
  • The fine balance between one cross-coupling and two beta-hydride elimination pathways: a DFT mechanistic study of Ni(pi-allyl)(2)-catalyzed cross-coupling of alkyl halides and alkyl Grignard reagents.
    Chass GA Kantchev EAB
    Chem Commun (Camb) vol. 46 (16), 2727-2729.  
    28-04-2010
  • Structural alphabets derived from attractors in conformational space
    Pandini A Fornili A
    Bmc Bioinformatics, Biomed Central vol. 11 
    20-02-2010
  • Nonaqueous Route toward a Nanostructured Hybrid Titanate
    Portehault D Giordano C Sanchez C Antonietti M
    Chemistry of Materials, American Chemical Society (Acs) vol. 22 (6), 2125-2131.  
    12-02-2010
  • Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations.
    Di Tommaso D de Leeuw NH
    Phys Chem Chem Phys vol. 12 (4), 894-901.  
    28-01-2010
  • Interface Dynamics In Hub Proteins
    Fornili A Pandini A
    Biophysical Journal. vol. 98 (3) 
    01-01-2010
  • Mesoporous Fe3C sponges as magnetic supports and as heterogeneous catalyst
    Kraupner A Antonietti M Palkovits R Schlicht K Giordano C
    Journal of Materials Chemistry, Royal Society of Chemistry (Rsc) vol. 20 (29), 6019-6022.  
    01-01-2010
  • Modelling the nucleation of metal carbonates: The importance of the hydration shell in the monomer formation
    Di Tommaso D
    GEOCHIMICA ET COSMOCHIMICA ACTA. vol. 74 (12), A236-A236.  
    01-01-2010