Molecular modeling of the kinetic isotope effect on the intramolecular hydrogen atom transfer in triplet 6,9-dimethylbenzosuberone Fulltext Access 11 Pages 2006
Models of charge transport and transfer in molecular switch tunnel junctions of bistable catenanes and rotaxanes Fulltext Access 11 Pages 2006
Predicting the activation energy of catalytic dissociation of the heteroatomic AB bond Fulltext Access 11 Pages 2006
A study of the atmospherically relevant reaction between molecular chlorine and dimethylsulfide (DMS): Establishing the reaction intermediate and measurement of absolute photoionization cross-sections Fulltext Access 11 Pages 2006
Structural investigation of lithium iodide in liquid dimethyl sulfoxide: Comparison between experiment and computation Fulltext Access 11 Pages 2006
Reminiscence of benzene in the spectroscopy of 1,3-benzodioxole: A computational study Fulltext Access 11 Pages 2006
Double resonance spectroscopy of different conformers of the neurotransmitter amphetamine and its clusters with water Fulltext Access 11 Pages 2006
Compartmental modeling in photophysics: Identifiability of models for intramolecular three-state excited-state processes Fulltext Access 11 Pages 2006
Theoretical and experimental studies on binding mode of 3,5-pyrazoledicarboxylic acid in its new La(III) complex Fulltext Access 11 Pages 2006
Electron transfer between cofactors in protein domains linked by a flexible tether Fulltext Access 11 Pages 2006
Quantitation of protein orientation in flow-oriented unilamellar liposomes by linear dichroism Fulltext Access 11 Pages 2006
Non-innocent electrolyte effects on bimolecular pseudo-self-exchange reactions of ruthenium ammine complexes: Evidence for electron-transfer catalysis in H-bonded ternary assemblies Fulltext Access 11 Pages 2006
Time resolved studies of dual emission and photoinduced energy transfer in a Tris methoxy coumarin derivative of a cryptand and its complex with Tb(NO3)3 Fulltext Access 11 Pages 2006
Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation Fulltext Access 11 Pages 2006
Photochromism and polarization spectroscopy of p-methyl(thiobenzoyl)acetone Fulltext Access 11 Pages 2006
Quasielastic neutron scattering measurements of fast process and methyl group dynamics in glassy poly(vinyl acetate) Fulltext Access 11 Pages 2006
Determination of potential energy functions and calculation transport properties of oxygen and nitric oxide via the inversion of reduced viscosity collision integrals at zero pressure Fulltext Access 11 Pages 2006
Absorption and emission spectroscopic characterization of 10-phenyl-isoalloxazine derivatives Fulltext Access 11 Pages 2006
Ab initio cluster calculations of the magnetic properties of ZnO doped with transition metal ions Fulltext Access 11 Pages 2006
On the integration of the multi-configurational time-dependent Hartree (MCTDH) equations of motion Fulltext Access 11 Pages 2006
Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation Fulltext Access 11 Pages 2006
Inelastic neutron scattering from liquid para-hydrogen by ring polymer molecular dynamics Fulltext Access 11 Pages 2006
Investigation of a semiconductor bioelectrode with Ohmic behavior in vivo: Impedance spectroscopy of p-type semiconductor electrodes in perfused living heart Fulltext Access 11 Pages 2006
Theoretical simulation of the ROA spectra of neutral cysteine and serine Fulltext Access 11 Pages 2006
Theoretical study of building blocks for molecular switches based on electrically induced conformational changes Fulltext Access 11 Pages 2006
Theoretical study of long range electron transfer in Phthalimide-Peptide-Methyl Aminoacetate Model molecules Fulltext Access 11 Pages 2006
How much double excitation character do the lowest excited states of linear polyenes have? Fulltext Access 11 Pages 2006
Quantum computation via local control theory: Direct sum vs. direct product Hilbert spaces Fulltext Access 11 Pages 2006
Semiclassical wavefunction in the chaotic region from a quantizing cantorus Fulltext Access 11 Pages 2006
Excited state intramolecular proton transfer in 3-hydroxy-2-naphthaldehyde: A combined study by absorption and emission spectroscopy and quantum chemical calculation Fulltext Access 11 Pages 2006
Acetic acid electronic state spectroscopy by high-resolution vacuum ultraviolet photo-absorption, electron impact, He(I) photoelectron spectroscopy and ab initio calculations Fulltext Access 11 Pages 2006
XPS valence band spectra and theoretical calculations for investigations on thiogermanate and thiosilicate glasses Fulltext Access 11 Pages 2006
Theoretical studies in local coordination and vibrational spectra of M+CH3O(CH2CH2O)nCH3 (n = 2-7) complexes (M = Na, K, Mg and Ca) Fulltext Access 11 Pages 2006
Photochemistry of phenanthroline-containing spirooxazines in a low-temperature methanol matrix Fulltext Access 11 Pages 2006
Vibronic model for H/D isotopic “self-organization” effects in hydrogen bond cyclic trimeric systems: 4-Bromopyrazole crystal IR spectra Fulltext Access 11 Pages 2006
Cis-trans photoisomerization of the chromophore in the green fluorescent protein variant E2GFP: A molecular dynamics study Fulltext Access 11 Pages 2006
Plasma surface modification of polyimide films by air glow discharge for copper metallization on microelectronic flex substrates Fulltext Access 11 Pages 2006
Monte-Carlo simulations of ion track in silicon and influence of its spatial distribution on single event effects Fulltext Access 11 Pages 2006
Semi-empirical and empirical L X-ray production cross sections for elements with 50 ⩽ Z ⩽ 92 for protons of 0.5–3.0 MeV Fulltext Access 11 Pages 2006
Characterisation by PIXE-RBS of metallic contamination of tissues surrounding a metallic prosthesis on a knee Fulltext Access 11 Pages 2006
Fractals and superstructures in gadolinia thin film morphology: Influence of process variables on their characteristic parameters Fulltext Access 11 Pages 2006
Study of physical and photocatalytic properties of titanium dioxide thin films prepared from complex precursors by chemical vapour deposition Fulltext Access 11 Pages 2006
Al2O3 thin coating of AA 6082 T6 components using a fast regime fluidized bed Fulltext Access 11 Pages 2006
Characterisations of HVOF sprayed NiCrBSi coatings on Ni- and Fe-based superalloys and evaluation of cyclic oxidation behaviour of some Ni-based superalloys in molten salt environment Fulltext Access 11 Pages 2006
Steady-state and impedance study of n-GaAs in H2SO4 solution: Mechanism analysis Fulltext Access 11 Pages 2006
Deposition of titanium/titanium oxide clusters produced by magnetron sputtering Fulltext Access 11 Pages 2006
Relationship between plasma spray operational parameters and microstructure of hydroxyapatite coatings and powder particles sprayed into water Fulltext Access 11 Pages 2006
Dielectric characteristics of HoFeO3 crystals and their modification on SHI irradiation Fulltext Access 11 Pages 2006
A new electroless nickel deposition technique to metallise SiCp/Al composites Fulltext Access 11 Pages 2006
Two-body abrasive wear of nano- and microcrystalline TiC–Ni-based thermal spray coatings Fulltext Access 11 Pages 2006
Electrochemical characteristics of corrosion behavior of organic/Dacromet composite systems pretreated with gamma-aminopropyltriethoxysilane Fulltext Access 11 Pages 2006
The electrophoretic deposition of Bioglass® particles on stainless steel and Nitinol substrates Fulltext Access 11 Pages 2006
In situ laser remelted thermal barrier coatings: Thermophysical properties Fulltext Access 11 Pages 2006
Corrosion behaviour of electrodeposited and sputtered Cr coatings and sputtered Ta coatings with α and β phases Fulltext Access 11 Pages 2006
Effect of nanoparticles on the improvement in fire-resistant and anti-ageing properties of flame-retardant coating Fulltext Access 11 Pages 2006
Metal ion release from nitrogen ion implanted CoCrMo orthopedic implant material Fulltext Access 11 Pages 2006
The enhancement of the properties of WC-Co HVOF coatings through the use of nanostructured and microstructured feedstock powders Fulltext Access 11 Pages 2006
The determination of the delamination resistance in thermal barrier coating system by four-point bending tests Fulltext Access 11 Pages 2006
Preparation and dielectric properties of polycrystalline films with dense nano-structured BaTiO3 by chemical vapor deposition using inductively coupled plasma Fulltext Access 11 Pages 2006
The calculation of molecular double ionization spectra by Green's functions Fulltext Access 11 Pages 2006
Comparison of the electronic structure of PPV and its derivative DIOXA-PPV Fulltext Access 11 Pages 2006
Study of strong Σ-Πand spin-orbit vibronic coupling effects in linear triatomic molecules Fulltext Access 11 Pages 2006
Controllability of wavepacket dynamics in coherently driven double-well potential Fulltext Access 11 Pages 2006
DFT modeling and spectroscopic study of metal-ligand bonding in La(III) complex of coumarin-3-carboxylic acid Fulltext Access 11 Pages 2006
Transport and diffusion processes in trehalose-water solutions: Theory and experiments Fulltext Access 11 Pages 2006
Study of gas-phase O-H bond dissociation enthalpies and ionization potentials of substituted phenols - Applicability of ab initio and DFT/B3LYP methods Fulltext Access 11 Pages 2006
A diameter-dependent separation of semiconducting from metallic single-wall carbon nanotubes by using nitronium ions Fulltext Access 11 Pages 2006
A unified GFSK, Ï/4-shifted DQPSK, and 8-DPSK baseband controller for enhanced data rate Bluetooth SoC Fulltext Access 11 Pages 2006
Tribological property and drilling application of Ti–C:H and Cr–C:H coatings on high-speed steel substrates Fulltext Access 11 Pages 2006
The effect of anisotropy on residual stress values and modification of Serruys approach to residual stress calculations for coatings such as TiN, ZrN and HfN Fulltext Access 11 Pages 2006
Friction and wear properties of Cr:(Wx,N0.1) coatings deposited by magnetron sputtering Fulltext Access 11 Pages 2006
Polarization effects for pair creation by photon in oriented crystals at high energy Fulltext Access 11 Pages 2006
Inelastic neutron scattering experiments with the monochromatic imaging mode of the RITA-II spectrometer Fulltext Access 11 Pages 2006
Molecular dynamics simulations of threshold displacement energies in Fe Fulltext Access 11 Pages 2006
Production of no-carrier-added 139Pr via precursor decay in the proton bombardment of natPr Fulltext Access 11 Pages 2006