Many-body effect in Auger-photoelectron coincidence spectroscopy spectra Fulltext Access 12 Pages 2006
The chemistry of ethylene on MoAl alloy thin films formed on dehydroxylated alumina: Hydrogenation, dehydrogenation and H-D exchange reactions Fulltext Access 12 Pages 2006
Adsorption of short-chain alkanethiols on Ag(1 1 1) studied by direct recoiling spectroscopy Fulltext Access 12 Pages 2006
Competition between associative and dissociative adsorption of 1,2-dihalogenated benzenes on Si(1 0 0)2 Ã 1: Formation of dihalocyclohexadiene, halophenyl and phenylene adstructures Fulltext Access 12 Pages 2006
High resolution core and valence band XPS spectra of non-conductor pyroxenes Fulltext Access 12 Pages 2006
Density functional theory studies on stress stabilization of the Cu(1Â 1Â 0) striped phase Fulltext Access 12 Pages 2006
Theoretical studies on the adsorption and decomposition of H2O on Pd(1 1 1) surface Fulltext Access 12 Pages 2006
On the convergence of the electronic structure properties of the fcc americium (0Â 0Â 1) surface Fulltext Access 12 Pages 2006
Effect of competition between relaxation and decay on the Auger-photoelectron coincidence spectroscopy (APECS) spectra of Pd metal Fulltext Access 12 Pages 2006
Infrared spectra of oxalate, malonate and succinate adsorbed on the aqueous surface of rutile, anatase and lepidocrocite measured with in situ ATR-FTIR Fulltext Access 12 Pages 2006
Many-body effect in Auger-electron spectra by participant Auger transitions of a core-hole satellite Fulltext Access 12 Pages 2006
The local adsorption geometry and electronic structure of alanine on Cu{1 1 0} Fulltext Access 12 Pages 2006
Structures and stability of ionic liquid model with imidazole and hydrogen fluorides chains: Density functional theory study Fulltext Access 12 Pages 2006
Intramolecular hydrogen bonds in crystals of thiophosphorylbenzopyrane derivatives - X-ray and FT-IR studies Fulltext Access 12 Pages 2006
Ethylene dissociation on flat and stepped Ni(1 1 1): A combined STM and DFT study Fulltext Access 12 Pages 2006
Thermal decomposition mechanisms of tungsten nitride CVD precursors on Cu(1 1 1) Fulltext Access 12 Pages 2006
Electron tunneling from a metallic TS2 layer underneath an ultra-thin MS layer with semiconducting properties for misfit-layer compounds Fulltext Access 12 Pages 2006
Growth of Ni-Al alloys on Ni(1 1 1): (I) Formation of epitaxial Ni3Al from ultra-thin Al deposits Fulltext Access 12 Pages 2006
Pd diffusion on MgO(1 0 0): The role of defects and small cluster mobility Fulltext Access 12 Pages 2006
Intermediates in the hydrogenation of benzene to cyclohexene on Pt(1 1 1) and Pd(1 1 1): A comparison from DFT calculations Fulltext Access 12 Pages 2006
Impact of surface phase transitions and structure on surface diffusion profiles of Pb and Bi over Cu(1 0 0) Fulltext Access 12 Pages 2006
Chemical bonding of PTCDA on Ag surfaces and the formation of interface states Fulltext Access 12 Pages 2006
Study of the spontaneous formation of organic layers on carbon and metal surfaces from diazonium salts Fulltext Access 12 Pages 2006
Experimental and theoretical studies of adsorption of CH3 on α-Fe2O3 (0 0 0 1) surfaces Fulltext Access 12 Pages 2006
Two-dimensional solid state NMR characterization of physisorbed siloxane polymer (OV-225) on silica Fulltext Access 12 Pages 2006
Crystal structures, optical properties and theoretical calculation of novel two-photon polymerization initiators Fulltext Access 12 Pages 2006
The mechanism of amine formation on Si(1 0 0) activated with chlorine atoms Fulltext Access 12 Pages 2006
Formation of indentation cracks and origin of indentation size effect in cadmium tartrate pentahydrate single crystals Fulltext Access 12 Pages 2006
Simulations of the chain length dependence of the melting mechanism in short-chain n-alkane monolayers on graphite Fulltext Access 12 Pages 2006
A theoretical study of magnetic phase transitions in ultra-thin films: Application to NiO Fulltext Access 12 Pages 2006
Negative ion resonance of a molecule adsorbed on a metal surface covered with a rare gas monolayer Fulltext Access 12 Pages 2006
Adsorption and reactions of HN3 on Si(1 0 0)-2 Ã 1: A computational study Fulltext Access 12 Pages 2006
In situ XPS study of Pd(1 1 1) oxidation. Part 1: 2D oxide formation in 10â3 mbar O2 Fulltext Access 12 Pages 2006
Ion fractions in the scattering of hydrogen on different reconstructed silicon surfaces Fulltext Access 12 Pages 2006
Absorption and emission spectroscopic characterization of platinum-octaethyl-porphyrin (PtOEP) Fulltext Access 12 Pages 2006
On the influence of diameter and length on the properties of armchair single-walled carbon nanotubes: A theoretical chemistry approach Fulltext Access 12 Pages 2006
Structure and dynamics of La(III) in aqueous solution - An ab initio QM/MM MD approach Fulltext Access 12 Pages 2006
Photoinduced electron-transfer dynamics and long-lived CS states of donor-acceptor linked dyads and a triad containing a gold porphyrin in nonpolar solvents Fulltext Access 12 Pages 2006
Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model study Fulltext Access 12 Pages 2006
Theoretical and spectroscopic studies of lanthanum (III) complex of 5-aminoorotic acid Fulltext Access 12 Pages 2006
Solvation of calcium ion in methanol: Comparison of diffraction studies and molecular dynamics simulation Fulltext Access 12 Pages 2006
Deuteron spin-lattice relaxation in partially deuterated ammonium hexachlorotellurate Fulltext Access 12 Pages 2006
Infrared spectroscopic identification of digermene, Ge2H4(X1Ag), and of the digermenyl radical, Ge2H3(X2Aâ³), together with their deuterated counterparts in low temperature germane matrices Fulltext Access 12 Pages 2006
Simulation of coherent control of hydroxyl formed due to HCl adsorption on MgO(0Â 0Â 1) Fulltext Access 12 Pages 2006
Adsorption of 2-amino-6-methylbenzothiazole on colloidal silver particles: Quantum chemical calculations and surface enhanced Raman scattering study Fulltext Access 12 Pages 2006
Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0-3p54s3P2)-He Fulltext Access 12 Pages 2006
Magnesia formed on calcination of Mg(OH)2 prepared from natural bischofite Fulltext Access 12 Pages 2006
Influence of carrier gas pressure and flow rate on atomic layer deposition of HfO2 and ZrO2 thin films Fulltext Access 12 Pages 2006
Electron microscopy and EXAFS studies on oxide-supported gold-silver nanoparticles prepared by flame spray pyrolysis Fulltext Access 12 Pages 2006
Quantitative analysis of multi-element oxide thin films by angle-resolved XPS: Application to ultra-thin oxide films on MgAl substrates Fulltext Access 12 Pages 2006
Transmission electron microscopy studies of HfO2 thin films grown by chloride-based atomic layer deposition Fulltext Access 12 Pages 2006
DRIFTS study of surface reactivity to NO2 by zinc nanoparticle aggregates and zinc hollow nanofibers Fulltext Access 12 Pages 2006
Effects of thermal treatment on structures of Cu/atomic-layer-deposited TaN films/Si stacks Fulltext Access 12 Pages 2006
A study of vibronic coupling in excited neutral and ionic states of carbon dioxide Fulltext Access 12 Pages 2006
Green's function calculation of radical pair recombination: I. Gyroscopic model formalism Fulltext Access 12 Pages 2006
A diode laser study and modeling of NO and NO2 formation in a pulsed DC air discharge Fulltext Access 12 Pages 2006
Experimental and theoretical study of the vibrational spectra of halothane Fulltext Access 12 Pages 2006
Light-induced molecular potentials and temperature-dependent polarization of molecular vapours in intense resonant laser fields: I. Nonperturbative theory in quasi-classical approximation Fulltext Access 12 Pages 2006
Two-photon anisotropy: Analytical description and molecular modeling for symmetrical and asymmetrical organic dyes Fulltext Access 12 Pages 2006
Influence of subunit structure on the oligomerization state of light-harvesting complexes: A free energy calculation study Fulltext Access 12 Pages 2006
Atomic hydrogen transmission through five-membered carbon ring by the mechanism of non-adiabatic tunneling Fulltext Access 12 Pages 2006
Restoration of polarization in ferroelectric thin films studied with the model of trapping of carriers at interfacial states Fulltext Access 12 Pages 2006
The Ï-type hydrogen bond with triple C-C bond acting as a proton-acceptor. A gradient-corrected hybrid HF-DFT and MP2 study of the phenol-acetylene dimer in the neutral S0 ground state Fulltext Access 12 Pages 2006
13C chemical shift tensors of hydrogen bonded amino acids: Relations between experimental and calculated results Fulltext Access 12 Pages 2006
Femtosecond study of light-induced fluorescence increase of the dark chromoprotein asFP595 Fulltext Access 12 Pages 2006
Polarization and polarizability in extended one-dimensional organic materials Fulltext Access 12 Pages 2006
A structural model for cyanine dyes templated into the minor groove of DNA Fulltext Access 12 Pages 2006
Quantum two-state dynamics driven by stationary non-Markovian discrete noise: Exact results Fulltext Access 12 Pages 2006
Does really Born-Oppenheimer approximation break down in charge transfer processes? An exactly solvable model Fulltext Access 12 Pages 2006
Mulliken-Hush elucidation of the encounter (precursor) complex in intermolecular electron transfer via self-exchange of tetracyanoethylene anion-radical Fulltext Access 12 Pages 2006
Activationless nonradiative decay in rhodamines: Role of NH and lower frequency vibrations in solvent kinetic isotope effects Fulltext Access 12 Pages 2006
VUV photophysics of acetic acid: Fragmentation, fluorescence and ionization in the 6-23Â eV region Fulltext Access 12 Pages 2006