On the vibrational spectra and structural parameters of methyl, silyl, and germyl azide from theoretical predictions and experimental data Fulltext Access 20 Pages 2005
Metal-salen complexes as efficient catalysts for the oxygenation of heteroatom containing organic compounds-synthetic and mechanistic aspects Fulltext Access 20 Pages 2005
Oxygen vacancies on TiO2(1Â 1Â 0) and their interaction with H2O and O2: A combined high-resolution STM and DFT study Fulltext Access 20 Pages 2005
Reactivity of low-coordinated MgO anions towards CO: A DFT study of (CnOn+1)2â polymeric species Fulltext Access 20 Pages 2005
Three-dimensional structure determination using multiple-scattering analysis of XAFS: applications to metalloproteins and coordination chemistry Fulltext Access 20 Pages 2005
Atomic-scale analysis of fundamental mechanisms of surface valley filling during plasma deposition of amorphous silicon thin films Fulltext Access 21 Pages 2005
Influence of surface active substances on bubble motion and collision with various interfaces Fulltext Access 21 Pages 2005
Enzyme association with lipidic Langmuir-Blodgett films: Interests and applications in nanobioscience Fulltext Access 21 Pages 2005
Electro-oxidation of methanol on gold in alkaline media: Adsorption characteristics of reaction intermediates studied using time resolved electro-chemical impedance and surface plasmon resonance techniques Fulltext Access 21 Pages 2005
Polymorphism in supramolecular chiral structures of R- and S-alanine on Cu(1Â 1Â 0) Fulltext Access 21 Pages 2005
DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases Fulltext Access 21 Pages 2005
Metal-organic molecular architectures with 2,2â²-bipyridyl-like and carboxylate ligands Fulltext Access 21 Pages 2005
Mathematical modelling and numerical simulation of adsorption processes at microdisk electrodes Fulltext Access 21 Pages 2005
Diffusion within nanometric and micrometric spherical-type domains limited by nanometric ring or pore active interfaces. Part 1: conformal mapping approach Fulltext Access 21 Pages 2005
Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis. The program HFBTHO (v1.66p) Fulltext Access 21 Pages 2005
GaussDal: An open source database management system for quantum chemical computations Fulltext Access 21 Pages 2005
Surface modification and functionalization through the self-assembled monolayer and graft polymerization Fulltext Access 21 Pages 2005
Time-domain chirally-sensitive three-pulse coherent probes of vibrational excitons in proteins Fulltext Access 21 Pages 2005
Organic ammonium halides as analogues of main-group amide/imide complexes in the solid state: Extension of ring-laddering and ring-stacking principles Fulltext Access 21 Pages 2005
Infrared spectra of weak hydrogen bonds and indirect damping. On the deep connection between the quantum model and the semi-classical one of Robertson and Yarwood Fulltext Access 21 Pages 2005
Triple-quantum dynamics in multiple-spin systems undergoing magic-angle spinning: application to 13C homonuclear correlation spectroscopy Fulltext Access 21 Pages 2005
Study on the reaction of 2,3-dihydroxybenzoic acid with molybdenum in aqueous solution. I. Synthesis and characterization of the oligomeric complexes formed Fulltext Access 21 Pages 2005
Magnetism of metal-nitroxide compounds involving bis-chelating imidazole and benzimidazole substituted nitronyl nitroxide free radicals Fulltext Access 21 Pages 2005
Fitting models to correlated data II (small samples, large correlations, and wrong models) Fulltext Access 21 Pages 2005
High-sensitivity CW-cavity ringdown spectroscopy of 12CO2 near 1.5 μm Fulltext Access 21 Pages 2005
Kinematical calculations of RHEED intensity oscillations during the growth of thin epitaxial films Fulltext Access 22 Pages 2005
Self-assembly of ionic-complementary peptides: a physicochemical viewpoint Fulltext Access 22 Pages 2005
Self-organization of substituted 1,3,4-oxadiazoles in the solid state and at surfaces Fulltext Access 22 Pages 2005
DFT study of Pt adsorption on low index SrTiO3 surfaces: SrTiO3(1Â 0Â 0), SrTiO3(1Â 1Â 1) and SrTiO3(1Â 1Â 0) Fulltext Access 22 Pages 2005
Strict self-assembly of polymetallic helicates: the concepts behind the semantics Fulltext Access 22 Pages 2005
Mechanistic investigation of the thermal decomposition of Biphen(OPi-Pr)PtEt2: An entrance into C–C single bond activation? Fulltext Access 22 Pages 2005
Structural and spectroscopic properties of dinuclear rhenium complexes containing (ReO)2(μ-O) core Fulltext Access 22 Pages 2005
Symbolic algorithms for the computation of Moshinsky brackets and nuclear matrix elements Fulltext Access 22 Pages 2005
A density functional study of the structures and energetics of small hetero-atomic silicon-carbon nanoclusters Fulltext Access 22 Pages 2005
Measurements and theoretical calculations of self-broadening and self-shift coefficients in the ν2 band of CH3D Fulltext Access 22 Pages 2005
Fitting models to correlated data III: A comparison between residual analysis and other methods Fulltext Access 22 Pages 2005
Influence of the anisotropic hyperfine interaction on the 14N ENDOR and the ESEEM orientation-disordered spectra Fulltext Access 22 Pages 2005
A solution-adaptive central-constraint transport scheme for magnetohydrodynamics Fulltext Access 22 Pages 2005
Subsurface miscibility of metal overlayers with V, Nb and Ta substrates Fulltext Access 22 Pages 2005
Efficient fitting algorithms applied to analysis of coincidence γ-ray spectra Fulltext Access 23 Pages 2005
Interpenetrating metal-organic and inorganic 3D networks: a computer-aided systematic investigation. Part II [1]. Analysis of the Inorganic Crystal Structure Database (ICSD) Fulltext Access 23 Pages 2005
Surface state electron dynamics of clean and adsorbate-covered metal surfaces studied with the scanning tunnelling microscope Fulltext Access 23 Pages 2005
On the generation of metal clusters with the electrochemical scanning tunneling microscope Fulltext Access 23 Pages 2005
Simulation of n-qubit quantum systems. I. Quantum registers and quantum gates Fulltext Access 23 Pages 2005
Preparation of non-fused heterocycles in zeolites and mesoporous materials Fulltext Access 23 Pages 2005
Adsorption and desorption of CO on Ru(0Â 0Â 0Â 1): A comprehensive analysis Fulltext Access 23 Pages 2005
Structure and thermodynamic stability of lanthanide complexes with amino acids and peptides Fulltext Access 24 Pages 2005
Core modified porphyrins – a macrocyclic platform for organometallic chemistry Fulltext Access 24 Pages 2005
A problem-orientable numerical algorithm for modeling multi-dimensional radiative MHD flows in astrophysics-the hierarchical solution scenario Fulltext Access 24 Pages 2005
Atomistic modeling of Ag deposition on the low-index faces of Al and Al deposition on Ag Fulltext Access 24 Pages 2005
Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems Fulltext Access 24 Pages 2005
Dynamic NMR studies of base-catalyzed intramolecular single vs. intermolecular double proton transfer of 1,3-bis(4-fluorophenyl)triazene Fulltext Access 24 Pages 2005
Annual survey of organometallic metal cluster chemistry for the year 2003 Fulltext Access 24 Pages 2005
Application of the extended RSA models in studies of particle deposition at partially covered surfaces Fulltext Access 24 Pages 2005
Thermoporometry by differential scanning calorimetry: experimental considerations and applications Fulltext Access 24 Pages 2005
A study of the 8466 structures reported in Inorganica Chimica Acta: 52 space group changes and their chemical consequences Fulltext Access 24 Pages 2005
Enantioselective copper catalysed 1,4-conjugate addition reactions using chiral N-heterocyclic carbenes Fulltext Access 24 Pages 2005
Variable energy photoelectron spectroscopy: electronic structure and electronic relaxation Fulltext Access 25 Pages 2005
SDECAY: a Fortran code for the decays of the supersymmetric particles in the MSSM Fulltext Access 25 Pages 2005
Modeling of elastic and inelastic electron backscattering from surfaces Fulltext Access 25 Pages 2005
Cross-sectional scanning tunneling microscopy studies of novel III-V semiconductor structures Fulltext Access 25 Pages 2005