Publications associées à Structure chimique

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

Rosario Scopelliti, Jean-Claude Bünzli

Reaction of Ln(III) with a tetrakis(diketone) ligand H4L [1,1?-(4,4?-(2,2-bis((4-(4,4,4-trifluoro-3-oxobutanoyl) phenoxy)methyl)propane-1,3-diyl)bis(oxy)bis(4,1-phenylene))bis(4,4,4-trifluorobutane-1,3-dione)] gives new podates which, according to mass spe ...

American Chemical Society2014

Orthomode Transducer and Dual-Polarized Horn Antenna in Substrate Integrated Technology

Juan Ramon Mosig, Michael Mattes, Marc Esquius Morote

A dual-polarized system fully implemented in substrate integrated technology is presented. It comprises an Orthomode Transducer (OMT) with planar excitation schemes for both orthogonal TE10 and TE01 modes and a dual-polarized horn antenna. The whole struct ...

Institute of Electrical and Electronics Engineers2014

Unsymmetrical Heptamethine Dyes for NIR Dye-Sensitized Solar Cells

Thomas Geiger

Seven unsymmetrical heptamethine dyes with carboxylic acid functionality were synthesized and characterized. These near-infrared dyes exhibit outstanding photophysical properties depending on their heterocyclic moieties and molecular structure. As proof of ...

Hindawi Publishing Corporation2014

The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces

Mohammad Khaja Nazeeruddin, Davide Moia

We measured the rate of hole hopping between dye molecules on titanium dioxide nanocrystals using cyclic voltammetry. Dyes commonly used in the field of dye sensitized solar cells exhibited efficient intermolecular charge transport, showing apparent diffus ...

Royal Soc Chemistry2014

Two-Fold Odd-Even Effect in Self-Assembled Nanowires from Oligopeptide-Polymer-Substituted Perylene Bisimides

Holger Frauenrath, Robin Nigon, Roman Niklaus Marty, Deborah Leite

Organic nanowires are important building blocks for nanoscopic organic electronic devices. In order to ensure efficient charge transport through such nanowires, it is important to understand in detail the molecular parameters that guide self-assembly of pi ...

Amer Chemical Soc2014

Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(II) organometallics

Paul Joseph Dyson, Rosario Scopelliti, Laure Menin, Benjamin Samuel Murray

Dinuclear metal complexes have emerged as a promising class of biologically active compounds which possess unique anticancer activity. Here, we describe a novel series of arene-linked dinuclear organometallic Ru(II) complexes, where the relative conformati ...

2014

Minimum energy path and atomistic mechanism of the elementary step in oxygen diffusion in silicon: A density-functional study

Alfredo Pasquarello, Jan Felix Binder

Using a density-functional scheme, we study the migration of a single O atom in a (110) plane between two adjacent bond-center sites in bulk Si. The minimum energy migration path is found through the nudged elastic band method within a generalized gradient ...

American Physical Society2014

Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals

Nicola Marzari, Matteo Cococcioni, Andrea Ferretti

Energy functionals which depend explicitly on orbital densities, rather than on the total charge density, appear when applying self-interaction corrections to density-functional theory; this is, e.g., the case for Perdew-Zunger and Koopmans-compliant funct ...

Amer Physical Soc2014

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Structure chimique

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

Orthomode Transducer and Dual-Polarized Horn Antenna in Substrate Integrated Technology

Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents

Unsymmetrical Heptamethine Dyes for NIR Dye-Sensitized Solar Cells

The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces

Two-Fold Odd-Even Effect in Self-Assembled Nanowires from Oligopeptide-Polymer-Substituted Perylene Bisimides

Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(II) organometallics

Minimum energy path and atomistic mechanism of the elementary step in oxygen diffusion in silicon: A density-functional study

Atomic and electronic structures of interfaces in dye-sensitized, nanostructured solar cells

Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals

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Chattez avec Graph Search

Orthomode Transducer and Dual-Polarized Horn Antenna in Substrate Integrated Technology

Synthesis and evaluation of new polynuclear organometallic Ru(II), Rh(III) and Ir(III) pyridyl ester complexes as in vitro antiparasitic and antitumor agents

A Eu(III) Tetrakis(b-diketonate) Dimeric Complex: Photophysical Properties, Structural Elucidation by Sparkle/AM1 Calculations, and Doping into PMMA Films and Nanowires

The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces

Atomic and electronic structures of interfaces in dye-sensitized, nanostructured solar cells

Minimum energy path and atomistic mechanism of the elementary step in oxygen diffusion in silicon: A density-functional study

Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals

Unsymmetrical Heptamethine Dyes for NIR Dye-Sensitized Solar Cells

Two-Fold Odd-Even Effect in Self-Assembled Nanowires from Oligopeptide-Polymer-Substituted Perylene Bisimides

Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(II) organometallics