Polarization modification of PZT thin films by means of electric fields and stress in scanning force microscopy Fulltext Access 11 Pages 2005
Self-assembly formation of the ordered nanostructure arrays induced by Be interaction with Si(1Â 1Â 1) surface Fulltext Access 11 Pages 2005
Structure of the {1Â 1Â 1} NaCl crystal surface grown from solution in the presence of CdCl2 Fulltext Access 11 Pages 2005
STM and DFT study of the Gd wetting layer reconstructions on the Si(0Â 0Â 1)-2Â ÃÂ 1 surface Fulltext Access 11 Pages 2005
Spin polarization, structure and chemical composition of the Rh/Fe(1Â 0Â 0) interface Fulltext Access 11 Pages 2005
Modeling of adatom vibrational populations and recombination rates in exoergic reactions Fulltext Access 11 Pages 2005
Coverage dependence of the sticking probability of ethylene on Ag(4Â 1Â 0) Fulltext Access 11 Pages 2005
Molecular studies on protein conformations at polymer/liquid interfaces using sum frequency generation vibrational spectroscopy Fulltext Access 11 Pages 2005
Comparison of the reduction of metal oxide surfaces: TiO2-anatase, TiO2-rutile and SnO2-rutile Fulltext Access 11 Pages 2005
First-principles investigation of the electronic properties of niobium and molybdenum mononitride surfaces Fulltext Access 11 Pages 2005
Atomic and electronic structure of the Si(0Â 0Â 1)2Â ÃÂ 1-Li chemisorption system at 1.0 monolayer coverage Fulltext Access 11 Pages 2005
Rate laws for reductive stripping of NO adlayers at single-crystal platinum electrodes as deduced from transient experiments Fulltext Access 11 Pages 2005
NO restructuring of surface Ir and bond formation to preadsorbed O on Ir{1Â 0Â 0} at 95Â K Fulltext Access 11 Pages 2005
Structure, band offsets and photochemistry at epitaxial α-Cr2O3/α-Fe2O3 heterojunctions Fulltext Access 11 Pages 2005
Ellipsometric detection of transitional surface structures on decapped GaAs Fulltext Access 11 Pages 2005
Finite size effects on supported Pd nanoparticles: Interaction of hydrogen with CO and C2H4 Fulltext Access 11 Pages 2005
Infrared reflection absorption study of carbon monoxide adsorption on Cu(1Â 0Â 0)-(2Â ÃÂ 2)p4g-Pd ordered alloy surface Fulltext Access 11 Pages 2005
A mechanism of photo-induced desorption of oxygen atoms from MgO nano-crystals Fulltext Access 11 Pages 2005
Retention and induced aggregation of Co(II) on a humic substance: sorption isotherms, infrared absorption, and molecular modeling Fulltext Access 11 Pages 2005
Surface morphology and wetting properties of surfaces coated with an amphiphilic diblock copolymer Fulltext Access 11 Pages 2005
A molecular T-matrix approach to calculating Low-Energy Electron Diffraction intensities for ordered molecular adsorbates Fulltext Access 11 Pages 2005
Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals Fulltext Access 11 Pages 2005
UHV-MOCVD growth of TiO2 on SiOx/Si(1Â 1Â 1): Interfacial properties reflected in the Si 2p photoemission spectra Fulltext Access 11 Pages 2005
The effect of surface symmetry on the adsorption energetics of SCH3 on gold surfaces studied using Density Functional Theory Fulltext Access 11 Pages 2005
In situ XAFS study of Fe epitaxially grown by MBE on GaAs(0Â 0Â 1)-4Â ÃÂ 6 Fulltext Access 11 Pages 2005
Catalyst-induced changes in a substituted aromatic: A combined approach via experiment and theory Fulltext Access 11 Pages 2005
Origin and temperature dependence of the surface optical anisotropy on Cu(1Â 1Â 0) Fulltext Access 11 Pages 2005
Photodesorption and photochemical dynamics on roughened silver: Sulphur dioxide and carbonyl sulphide Fulltext Access 11 Pages 2005
Adsorption of naphthalene on a Si(1Â 0Â 0)-2Â ÃÂ 1 surface investigated by infrared spectroscopy Fulltext Access 11 Pages 2005
Two-electron processes of desorption of a single ammonia molecule from Cu(1Â 0Â 0) Fulltext Access 11 Pages 2005
Interpreting intensities in vibrational sum frequency generation (SFG) spectroscopy: CO adsorption on Pd surfaces Fulltext Access 11 Pages 2005
Theoretical investigations on CH2CH-CH2OH on the Si(1Â 0Â 0)-2Â ÃÂ 1 and Ge(1Â 0Â 0)-2Â ÃÂ 1 surfaces Fulltext Access 11 Pages 2005
Chemical adsorption of phosgene on TiO2 and its effect on the photocatalytic oxidation of trichloroethylene Fulltext Access 11 Pages 2005
Growth and characterisation of Cr2O3(0Â 0Â 0Â 1) thin films on Cu(1Â 1Â 1) Fulltext Access 11 Pages 2005
Epitaxial growth of celestite on barite (0Â 0Â 1) face at a molecular scale Fulltext Access 11 Pages 2005
State-to-state reaction rates in gases with vibration-electronic-dissociation coupling: the influence on a radiative shock heated CO flow 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
An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3 Fulltext Access 11 Pages 2005
An equation of state for gaseous argon determined from the speed of sound Fulltext Access 11 Pages 2005
The FT-IR spectra of glycine and glycylglycine zwitterions isolated in alkali halide matrices Fulltext Access 11 Pages 2005
Ab initio direct dynamics studies on the reactions of chlorine atom with CH3 â nClnCHO (n = 1-3) Fulltext Access 11 Pages 2005
Isotope effects on the hydrodynamic fluctuations of self-associating fluids. A comparison between the Brillouin scattering of 1-octanol and its hydrocarbon chain perdeuterated analogue Fulltext Access 11 Pages 2005
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier Fulltext Access 11 Pages 2005
Inhomogeneous electrochemiluminescence. I: Integral encounter theory of kinetics and yield Fulltext Access 11 Pages 2005
On the single-root approach within the framework of coupled-cluster theory in Fock space Fulltext Access 11 Pages 2005
LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides Fulltext Access 11 Pages 2005
Primary charge separation between P* and BA: Electron-transfer pathways in native and mutant GM203L bacterial reaction centers Fulltext Access 11 Pages 2005
Adiabatic and non-adiabatic models for dissociative adsorption kinetics of diatomic molecules X2 on solid surface Fulltext Access 11 Pages 2005
The modification of glassy carbon and gold electrodes with aryl diazonium salt: The impact of the electrode materials on the rate of heterogeneous electron transfer Fulltext Access 11 Pages 2005
Contrasting electroabsorbance behavior of two borderline class II/class III mixed-valence systems Fulltext Access 11 Pages 2005
Solvent-assisted catalysis mechanism on Keto-enol tautomerism of cyameluric acid Fulltext Access 11 Pages 2005
The atomic surface structure of SrTiO3(0Â 0Â 1) in air studied with synchrotron X-rays Fulltext Access 11 Pages 2005
Evidence for emission and transfer of energy from excited edge sites of MgO smokes by photoluminescence experiments Fulltext Access 11 Pages 2005
Dimensionality in the alloy-de-alloy phase transition of Ag/Cu(1Â 1Â 0) Fulltext Access 11 Pages 2005
Radical-enhanced atomic layer deposition of Y2O3 via a β-diketonate precursor and O radicals Fulltext Access 11 Pages 2005
Intramolecular dative bonds involving boron with oxygen and nitrogen in boronic acids and esters: a computational study Fulltext Access 11 Pages 2005
Ab initio study of the structures and dynamic stereochemistry of biaryls Fulltext Access 11 Pages 2005
An hybrid organic-inorganic approach to erbium-functionalized nanodots for emission in the telecom window Fulltext Access 11 Pages 2005
Erratum to 'Molecular electrostatic potentials and electron densities in nitrocubanes C8H8âα(NO2)α (α=1-8): ab initio and density functional study' 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
Hydrogen bond mediated magnetism in [CuII(en)2(H2O)][CuII(en)2Ni2Cu2I(CN)10]·2H2O 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