Hydrogen bond mediated magnetism in [CuII(en)2(H2O)][CuII(en)2Ni2Cu2I(CN)10]·2H2O Fulltext Access 11 Pages 2005
Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering Fulltext Access 11 Pages 2005
Absorption spectrum and crystal-field analysis of U4+ ions in CsCdBr3 single crystals Fulltext Access 11 Pages 2005
Electronic and optical properties of functionalized carbon chains with the localized Hartree-Fock and conventional Kohn-Sham methods Fulltext Access 11 Pages 2005
Impurity and vacancy clustering at the Σ3(1 1 1)[1 â1 0] grain boundary in strontium titanate Fulltext Access 11 Pages 2005
A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3Eâ²) Fulltext Access 11 Pages 2005
HCN2+ dication spectroscopy: theoretical and experimental investigations Fulltext Access 11 Pages 2005
Toward a variational treatment of the magnetic coupling between centers with elevated spin moments Fulltext Access 11 Pages 2005
Molecular structure and spectroscopic properties of 4-nitrocatechol at different pH: UV-visible, Raman, DFT and TD-DFT calculations Fulltext Access 11 Pages 2005
Quantum chemical and conventional TST calculations of rate constants for the OHÂ +Â alkane reaction Fulltext Access 11 Pages 2005
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier Fulltext Access 11 Pages 2005
NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids Fulltext Access 11 Pages 2005
Diatomics-in-molecules study of the photoabsorption spectra of Xen+ clusters Fulltext Access 11 Pages 2005
Photoionization studies of the atmospherically important species N and OH at the Elettra synchrotron radiation source Fulltext Access 12 Pages 2005
Topological analysis of the electron density and of the electron localization function of pyrene and its radicals Fulltext Access 12 Pages 2005
Noise reduction in X-ray photoelectron spectromicroscopy by a singular value decomposition sorting procedure Fulltext Access 12 Pages 2005
Space charge effect and mirror charge effect in photoemission spectroscopy Fulltext Access 12 Pages 2005
Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl â ClH + Cl(2P) reaction Fulltext Access 12 Pages 2005
Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes Fulltext Access 12 Pages 2005
Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations Fulltext Access 12 Pages 2005
Relativistic effects on experimentally studied gas-phase properties of the heaviest elements Fulltext Access 12 Pages 2005
On the 3D-reconstruction of Taylor-like bubbles trapped inside hollow cellulose fibers acting as bubble nucleation sites in supersaturated liquids Fulltext Access 12 Pages 2005
A kinetic study of the formation of β-cyclodextrin complexes with monomolecular films of fatty acids and glycerides spread at the air/water interface Fulltext Access 12 Pages 2005
The mechanism of lipopolysaccharide infiltration through HUVEC membrane surface in direct endotoxin injury Fulltext Access 12 Pages 2005
Reactivity of furfural-cysteine model reaction in food-grade five-component nonionic O/W microemulsions Fulltext Access 12 Pages 2005
Comparison of microsphere deposition in porous media versus simple shear systems Fulltext Access 12 Pages 2005
The binary phase behavior of short-chain PDMS-b-PEO diblock copolymers in aqueous solutions in dependence of the PDMS chain length-a combined polarized optical microscopy, 2H NMR and SAXS study Fulltext Access 12 Pages 2005
Dynamic surface tension and dilational viscoelasticity of adsorption layers of a hydrophobically modified chitosan Fulltext Access 12 Pages 2005
Zeta potentials of perlite samples in various electrolyte and surfactant media Fulltext Access 12 Pages 2005
Colloidal forces between bitumen surfaces in aqueous solutions measured with atomic force microscope Fulltext Access 12 Pages 2005
Treatment of pulp and paper mill wastewaters with poly aluminium chloride and bagasse fly ash Fulltext Access 12 Pages 2005
Influence of polyelectrolyte characteristics on pressure-driven activated sludge dewatering Fulltext Access 12 Pages 2005
Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials Fulltext Access 12 Pages 2005
Measurement and modeling of the flow behavior of aqueous foams using a recirculating pipe rheometer Fulltext Access 12 Pages 2005
Adsorptive removal of malachite green dye from aqueous solution by bagasse fly ash and activated carbon-kinetic study and equilibrium isotherm analyses Fulltext Access 12 Pages 2005
Exploring organic compound interactions with organic matter: The thermodynamic cycle approach Fulltext Access 12 Pages 2005
Effect of some organic surfactants on the electrochemical behaviour of carbon steel in formation water Fulltext Access 12 Pages 2005
Transient two-liquid electroosmotic flow with electric charges at the interface Fulltext Access 12 Pages 2005
Diffusioosmosis of electrolyte solutions in a capillary slit with surface charge layers Fulltext Access 12 Pages 2005
Understanding the relationship between geopolymer composition, microstructure and mechanical properties Fulltext Access 12 Pages 2005
Equilibrium and kinetic studies on the adsorption of surfactant, organic acids and dyes from water onto natural biopolymers Fulltext Access 12 Pages 2005
Novel amphiphiles with preorganized functionalities-formation of Langmuir-films and efficiency in mineral flotation Fulltext Access 12 Pages 2005
Adsorption model for retention in normal-phase liquid chromatography with ternary mobile phases Fulltext Access 12 Pages 2005
Performance and application of a high energy monochromated Cu Kα1 X-ray source for the electron spectroscopy of materials Fulltext Access 12 Pages 2005
AuPd alloy formation in Au-Pd/Al2O3 catalysts and its role on aromatics hydrogenation Fulltext Access 12 Pages 2005
Surface properties and conductivity of bis(2-ethylhexyl) sulfosuccinate-containing polypyrrole Fulltext Access 12 Pages 2005
Elementary processes at semiconductor/electrolyte interfaces: perspectives and limits of electron spectroscopy Fulltext Access 12 Pages 2005
Effect of continuous and cyclic Rf plasma processing time on titanium surface Fulltext Access 12 Pages 2005
Electrochemical synthesis of polythiophene on nickel coated mild steel and corrosion performance Fulltext Access 12 Pages 2005
Composition and conduction mechanism of the surface oxide film on Ni-based alloys in molten hydroxide Fulltext Access 12 Pages 2005
Electron-beam modification of textile fabrics for hydrophilic finishing Fulltext Access 12 Pages 2005
Surface reaction kinetics of metal β-diketonate precursors with O radicals in radical-enhanced atomic layer deposition of metal oxides Fulltext Access 12 Pages 2005
Laser manipulation of clusters, structural defects and nanoaggregates in barrier structures on silicon and binary semi-conductors Fulltext Access 12 Pages 2005
Oxidation protection of copper surfaces using self-assembled monolayers of octadecanethiol Fulltext Access 12 Pages 2005
Excited state dynamics of a conformationally disordered conjugated polymer: A comparison of solutions and film Fulltext Access 12 Pages 2005
Adsorption and catalysis: The effect of confinement on chemical reactions Fulltext Access 12 Pages 2005
The influence of a small amount of active sites on the adsorption kinetics of nitrogen on ruthenium Fulltext Access 12 Pages 2005
Evaluation of adsorption energy distribution of microporous materials by a multivariant identification Fulltext Access 12 Pages 2005
High resolution quantitative SIMS analysis of shallow boron implants in silicon using a bevel and image approach Fulltext Access 12 Pages 2005
Characterization of microroughness parameters in gadolinium oxide thin films: A study based on extended power spectral density analyses Fulltext Access 12 Pages 2005
Electrochemical, SEM/EDS and quantum chemical study of phthalocyanines as corrosion inhibitors for mild steel in 1 mol/l HCl Fulltext Access 12 Pages 2005
Three generations of inorganic phosphates in solvent and water-borne paints: A synergism case Fulltext Access 12 Pages 2005
Pre-treatments applied to oxidized aluminum surfaces to modify the interfacial bonding with bis-1,2-(triethoxysilyl)ethane (BTSE): Part I. High-purity Al with native oxide Fulltext Access 12 Pages 2005
Tween-40 as corrosion inhibitor for cold rolled steel in sulphuric acid: Weight loss study, electrochemical characterization, and AFM Fulltext Access 12 Pages 2005
The effects of H-F and H-D substitutions on Jahn-Teller effects and charge transfer in the monocations of B, N-substituted acenes Fulltext Access 12 Pages 2005
Quantum-chemical insight into the design of molecular optoelectrical switch Fulltext Access 12 Pages 2005
Potential energy surface survey towards prediction of a new radical [H2,Si,C,N] Fulltext Access 12 Pages 2005
UV/Vis/NIR spectral properties of triarylamines and their corresponding radical cations Fulltext Access 12 Pages 2005
Application of the encounter theory to the description of degenerate electron exchange reactions: spin kinetics at low magnetic fields Fulltext Access 12 Pages 2005
Theoretical study of anharmonic vibrational spectra of HNO3, HNO3-H2O, HNO4: Fundamental, overtone and combination excitations Fulltext Access 12 Pages 2005
Primary events in the bacteriorhodopsin photocycle: Torsional vibrational dephasing in the first excited electronic state Fulltext Access 12 Pages 2005
Theoretical and spectroscopic studies of pyridyl substituted bis-coumarins and their new neodymium (III) complexes Fulltext Access 12 Pages 2005
A combined spectroscopic and theoretical study of oxo- and thiono-sparteines Fulltext Access 12 Pages 2005
Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study Fulltext Access 12 Pages 2005
Mathematical functions for the analysis of luminescence decays with underlying distributions 1. Kohlrausch decay function (stretched exponential) Fulltext Access 12 Pages 2005
An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide Fulltext Access 12 Pages 2005
Electrodeposition of polyaniline, poly(2-iodoaniline), and poly(aniline-co-2-iodoaniline) on steel surfaces and corrosion protection of steel Fulltext Access 12 Pages 2005
The essential role of the electronegativity perturbation in vibronic interactions in positively charged B,N-substituted acenes Fulltext Access 12 Pages 2005
Infrared spectroscopic detection of the methylsilyl (CH3SiH2, X2Aâ²) and the silylmethyl (CH2SiH3, X2Aâ²) radicals and their partially deuterated counterparts in low temperature matrices Fulltext Access 12 Pages 2005
Hydrogen bonds in 1-indanone: Charge density analysis and simulation of the inelastic neutron scattering spectrum in solid phase Fulltext Access 12 Pages 2005
Tunneling and resonant conductance in one-dimensional molecular structures Fulltext Access 12 Pages 2005
Synergetic mechanisms of structural regulation of the electron transfer and other reactions of biological macromolecules Fulltext Access 12 Pages 2005
Direct correlation functions and the density functional theory of polar solvents Fulltext Access 12 Pages 2005
Potential-induced structural transitions of DL-homocysteine monolayers on Au(1Â 1Â 1) electrode surfaces Fulltext Access 12 Pages 2005
Molecular assemblies and redox reactions of zinc(II) tetraphenylporphyrin and zinc(II) phthalocyanine on Au(1Â 1Â 1) single crystal surface at electrochemical interface Fulltext Access 12 Pages 2005
Molecular simulations of outersphere reorganization energies for intramolecular electron and hole transfer in polar solvents Fulltext Access 12 Pages 2005
Kinetic equations for exactly solvable models of a geminate reaction in the presence of scavengers Fulltext Access 12 Pages 2005