Theoretical investigation on the conformational space of perfluorohydroxylamine, F2NOF Fulltext Access 6 Pages 2005
Analysis to obtain precise density fluctuation of supercritical fluids by small-angle X-ray scattering Fulltext Access 6 Pages 2005
Effect of molecular weight and its distribution on the spinodal for polydisperse polymer solutions Fulltext Access 6 Pages 2005
Blue-shifting C-Hâ¦Y intramolecular hydrogen bonds - DFT and AIM analyses Fulltext Access 6 Pages 2005
Structure of water + acetonitrile solutions from acoustic and positron annihilation measurements Fulltext Access 6 Pages 2005
Quantum-classical wave packet calculations for the O(1D) + N2O â NO + NO/N2 + O2 reaction Fulltext Access 6 Pages 2005
Basis set limitations on the ab initio calculation of stopping cross-sections via generalized oscillator strengths Fulltext Access 6 Pages 2005
Theoretical electronic structure of the lowest-lying states of the YI molecule Fulltext Access 6 Pages 2005
A ternary nonequilibrium phase diagram for a closed unstirred Belousov-Zhabotinsky system Fulltext Access 6 Pages 2005
Theoretical study of heating of spherical nanoparticle in media by short laser pulses Fulltext Access 6 Pages 2005
Comparison of the size of excitonic effects in molecular Ï systems as measured by core and valence spectroscopies Fulltext Access 7 Pages 2005
Spectroscopic studies of nanoparticle-sensitised photorefractive polymers Fulltext Access 7 Pages 2005
Bis-aryl substituted dioxaborines as electron-transport materials: a comparative density functional theory investigation with oxadiazoles and siloles Fulltext Access 7 Pages 2005
Positron annihilation lifetime and coincidence Doppler broadening study of γ-irradiated polyethylene Fulltext Access 7 Pages 2005
Investigation of the electrical and optical properties of iridium oxide by reflectance FTIR spectroscopy and density functional theory calculations Fulltext Access 7 Pages 2005
An extensive ab initio study of the Si + C2H2 and Si + C2H4 reactions in relation to the silicon astrochemistry Fulltext Access 7 Pages 2005
Kinetic and geometrical isotope effects in hydrogen-atom transfer reaction, as calculated by the multi-component molecular orbital method Fulltext Access 7 Pages 2005
Mechanisms of antioxidant activity: The DFT study of hydrogen abstraction from phenol and toluene by the hydroperoxyl radical Fulltext Access 7 Pages 2005
Colored thermal noise driven dynamical system in the presence and absence of non-equilibrium constraint: time dependence of information entropy flux and entropy production Fulltext Access 7 Pages 2005
Reduced-dimensionality quantum reactive scattering calculations of the C(3P)Â +Â C2H2 reaction on a new potential energy surface Fulltext Access 7 Pages 2005
Chemisorption of SO2 on graphite surface: A theoretical ab initio and ideal lattice gas model study Fulltext Access 7 Pages 2005
DNA effects upon the reaction between acetonitrile pentacyanoferrate (II) and ruthenium pentammine pyrazine: Kinetic and thermodynamic evidence of the interaction of DNA with anionic species Fulltext Access 7 Pages 2005
A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of α-tetrathiophene Fulltext Access 7 Pages 2005
Excited state properties of cross-conjugated 1,2- and 1,3-distyrylbenzene and some aza-analogues Fulltext Access 7 Pages 2005
Barrier-less knock-on conduction in ion channels: peculiarity or general mechanism? Fulltext Access 7 Pages 2005
Molecular complexes of organo-metallic molecules with rare gases: the rotational spectrum of difluorodimethylsilane-argon Fulltext Access 7 Pages 2005
Phenylacetylene adsorption on Rh(1Â 0Â 0): a photoemission and photoabsorption investigation Fulltext Access 7 Pages 2005
Formation of Pd dimers at regular and defect sites of the MgO(1Â 0Â 0) surface: cluster model calculations Fulltext Access 7 Pages 2005
Comparative theoretical study of the structure and bonding of propyne on the Pt(1Â 1Â 1) and Pd(1Â 1Â 1) surfaces Fulltext Access 7 Pages 2005
Molecular dynamics and control following excitation with an ultra-short intense laser pulse Fulltext Access 7 Pages 2005
Theoretical study of the role of adducts in the atmospheric oxidation of dimethyl sulfoxide by OH, O2 and O3 and the kinetics of the reaction DMSOÂ +Â OH Fulltext Access 7 Pages 2005
Tunneling of quantum particle in parametrically driven double-well system Fulltext Access 7 Pages 2005
Theoretical electronic structure including spin-orbit effects of the alkali dimer cation Cs2+ Fulltext Access 7 Pages 2005
Internal rotation of methyl group in 2- and 1-methylanthracene studied by electronic spectroscopy and DFT calculations Fulltext Access 7 Pages 2005
Structural features responsible for GFPuv and S147P-GFP's improved fluorescence Fulltext Access 7 Pages 2005
Mobility of CD4 molecules in nanoscale cages of zeolites as studied by deuteron NMR relaxation Fulltext Access 7 Pages 2005
Spin-orbit effects for the diatomic molecules containing halogen elements studied with relativistic effective core potentials: HX, X2 (XÂ =Â Cl, Br and I) and IZ (ZÂ =Â F, Cl and Br) molecules Fulltext Access 7 Pages 2005
Non-collinear and collinear four-component relativistic molecular density functional calculations Fulltext Access 7 Pages 2005
Benchmark four-component relativistic density functional calculations on Cu2, Ag2, and Au2 Fulltext Access 7 Pages 2005
The role of structural order-disorder for visible intense photoluminescence in the BaZr0.5Ti0.5O3 thin films Fulltext Access 7 Pages 2005
Polarization of the T1 â S0 phosphorescence and S0 â Sn phosphorescence excitation of aromatic hydrocarbons prototype for Ï,Ï* states. A reappraisal Fulltext Access 7 Pages 2005
Nanomechanical characteristics of SnO2:F thin films deposited by chemical vapor deposition Fulltext Access 7 Pages 2005
Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations Fulltext Access 7 Pages 2005
Structural characteristics of porous polymers treated by freezing with water or acetone Fulltext Access 7 Pages 2005
Prediction of thermodynamic properties from pure compound information: Characterization of fullerenes Fulltext Access 7 Pages 2005
Characterization of bilayer coatings of TiN/ZrN grown using pulsed arc PAPVD Fulltext Access 7 Pages 2005
Shear-induced slippage of the self-assembly of crown ether-centered two-armed copolymers Fulltext Access 7 Pages 2005
Ion beam etching of high resolution structures in Ta2O5 for grating-assisted directional coupler applications Fulltext Access 7 Pages 2005
Model of electroless Ni deposition on SiCp/Al composites and study of the interfacial interaction of coatings with substrate surface Fulltext Access 7 Pages 2005
Intrinsic coercivities of molecular beam epitaxy grown single-crystal Ni films on Ag buffer layer Fulltext Access 7 Pages 2005
Characteristics of sandwich-structured Al2O3/HfO2/Al2O3 gate dielectric films on ultra-thin silicon-on-insulator substrates Fulltext Access 7 Pages 2005
Evaluation of enthalpy of interfacial reactions from temperature dependency of interfacial equilibrium Fulltext Access 7 Pages 2005
Characterization of DNA chips on the molecular scale before and after hybridization with an atomic force microscope Fulltext Access 7 Pages 2005
Electron-spin polarization in anti-parallel double δ-magnetic-barrier nanostructures Fulltext Access 7 Pages 2005
The effect of interface states, excess capacitance and series resistance in the Al/SiO2/p-Si Schottky diodes Fulltext Access 7 Pages 2005
Dependence of the interband transitions on the in mole fraction and the applied electric field in InxGa1âxAs/In0.52Al0.48As multiple quantum wells Fulltext Access 7 Pages 2005
Influence of substrate temperature and post-treatment on the properties of ZnO:Al thin films prepared by pulsed laser deposition Fulltext Access 7 Pages 2005
Pulsed laser deposition and its current research status in preparing hydroxyapatite thin films Fulltext Access 7 Pages 2005
Effect of microstructure of MgO buffer layer on BaTiO3 grown on silicon substrates Fulltext Access 7 Pages 2005
Surface effect of natural zeolite (clinoptilolite) on the photocatalytic activity of TiO2 Fulltext Access 7 Pages 2005
Enhancement of long-term stability of pentacene thin-film transistors encapsulated with transparent SnO2 Fulltext Access 7 Pages 2005
Craters formation in a graphite cathode produced by pulsed arc at low pressure Fulltext Access 7 Pages 2005
Comparison of 17O spin-lattice relaxation solid state NMR studies of pure and doped ices Fulltext Access 7 Pages 2005
Determination of the number of unpaired electrons in metal-complexes. A comparison between the Evans' method and susceptometer results Fulltext Access 7 Pages 2005
Softening of the potential-energy surface in polymer electrolytes on the addition of nanoparticles Fulltext Access 7 Pages 2005
Low frequency enzyme dynamics as a function of temperature and hydration: A neutron scattering study Fulltext Access 7 Pages 2005
Neutron spectroscopy of deuterated substitutes and DFT modeling vibrational spectra of methanol clusters Fulltext Access 7 Pages 2005
The role of water in the initial steps of methanol oxidation on Pt(1Â 1Â 1) Fulltext Access 7 Pages 2005
Control and measurement of a non-resonant Raman wavepacket using a single ultrashort pulse Fulltext Access 7 Pages 2005
Giant fluctuations of second harmonic generation on nanostructured surfaces Fulltext Access 7 Pages 2005
Temperature dependence of current-voltage characteristics of Ag/p-SnS Schottky barrier diodes Fulltext Access 7 Pages 2005
Local electronic edge states of graphene layer deposited on Ir(1 1 1) surface studied by STM/CITS Fulltext Access 7 Pages 2005
Influence of different post-treatments on the structure and optical properties of zinc oxide thin films Fulltext Access 7 Pages 2005
Microstructure and tribological properties of electrodeposited Ni-Co alloy deposits Fulltext Access 7 Pages 2005
Effect of Ar+ ion implantation on the nano-mechanical properties and microstructure of single crystal silicon Fulltext Access 7 Pages 2005
Relationship between the C KVV Auger line shape and layered structure of graphite Fulltext Access 7 Pages 2005
Evolution of silicon surface microstructures by picosecond and femtosecond laser irradiations Fulltext Access 7 Pages 2005
XPS, TDS and static SIMS studies of binary Pd/Al system properties: correlation between Pd-Al bimetallic interaction and CO adsorption Fulltext Access 7 Pages 2005
The effect of nature of polyions and treatment after deposition on wetting characteristics of polyelectrolyte multilayers Fulltext Access 7 Pages 2005
A Monte Carlo simulation of the heterogeneous adsorption of hydrogen ions on metal oxides: Effect of inert electrolyte Fulltext Access 7 Pages 2005