Electronic properties of rhenium, osmium and iridium dimers by density functional methods Fulltext Access 5 Pages 2005
How transparent are the imidazolium ionic liquids? A case study with 1-methyl-3-butylimidazolium hexafluorophosphate, [bmim][PF6] Fulltext Access 5 Pages 2005
Origin of the stretched-exponential hole relaxation in regioregular poly(3-hexylthiophene) Fulltext Access 5 Pages 2005
Operation lifetimes of organic light-emitting devices with different layer structures Fulltext Access 5 Pages 2005
Proton conductivity of zwitterionic-type molecular solids under intermediate temperature and anhydrous conditions Fulltext Access 5 Pages 2005
GeO2: Bi, M (M = Ga, B) glasses with super-wide infrared luminescence Fulltext Access 5 Pages 2005
Large three-photon absorption cross-section in a novel class of bis-(N-carbazolyl) fluorene derivatives Fulltext Access 5 Pages 2005
Sidewall functionalization of single-walled carbon nanotubes through CF4 plasma treatment and subsequent reaction with aliphatic amines Fulltext Access 5 Pages 2005
The inelastic neutron scattering spectra of α-3-amino-5-nitro-1,2,4-2H-triazole: Experiment and DFT calculations Fulltext Access 5 Pages 2005
Probing electronic and vibrational properties at the electrochemical interface using SFG spectroscopy: Methanol electro-oxidation on Pt(1Â 1Â 0) Fulltext Access 5 Pages 2005
White polymer light-emitting devices from ternary-polymer blend with concentration gradient Fulltext Access 5 Pages 2005
The mechanism of electron-cation geminate recombination in liquid isooctane Fulltext Access 5 Pages 2005
Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study Fulltext Access 5 Pages 2005
Spontaneous Raman measurements of acetylene in atmospheric-pressure methane/air flames Fulltext Access 5 Pages 2005
A combined DFT and CCSD(T) study on electronic structures and stability of the M2(η5-CpX)2 (M = Zn and Cd, CpX = C5Me5 and C5H5) complexes Fulltext Access 5 Pages 2005
Calculation of the optical rotatory dispersion of solvated alanine by means of the perturbed matrix method Fulltext Access 5 Pages 2005
On the coverage-dependent orientation of benzene adsorbed on Cu(1Â 0Â 0): A density functional theory study Fulltext Access 5 Pages 2005
Homolytic cleavage of C-Si bond of p-trimethylsilylmethylacetophenone upon stepwise two-photon excitation using two-color two-laser flash photolysis Fulltext Access 5 Pages 2005
Large optical third-order nonlinearity of composite thin film of carbon nanotubes and BaTiO3 Fulltext Access 5 Pages 2005
Treatments of non-nuclear attractors within the theory of atoms in molecules Fulltext Access 5 Pages 2005
Method for the evaluation of the reorganization energy of electron transfer reactions in water-methanol mixtures Fulltext Access 5 Pages 2005
Optical chirality of citronelloxy-cyanobiphenyl monolayer at an air-water interface studied by the MDC and SHG measurement Fulltext Access 5 Pages 2005
Anomalous behavior of a polymer chain in supercritical solvents: A remarkable expansion of solvophobic polymer Fulltext Access 5 Pages 2005
Optical-optical double resonance LIF measurement of N2(C3Πu, v = 2) deactivation rate constant by N2 collisions Fulltext Access 5 Pages 2005
Isotopic segregation of molecular hydrogen on water ice surface at low temperature Fulltext Access 5 Pages 2005
Molecular electric conductance and long-bond structure counting for conjugated-carbon nano-structures Fulltext Access 5 Pages 2005
Concentration-dependence of photoluminescence properties in polythiophene diluted in an inactive polymer matrix Fulltext Access 5 Pages 2005
Doubly-excited 2s21Se resonance state of helium embedded in Debye plasmas Fulltext Access 5 Pages 2005
Theoretical study on all-metal aromatic complexes: all-metal aromatic hydrogen bond Fulltext Access 5 Pages 2005
Bond-based corrections to semi-empirical and ab initio electronic structure calculations Fulltext Access 5 Pages 2005
The correspondence between quantum and classical mechanics: an experimental demonstration of the smooth transition between the two regimes Fulltext Access 5 Pages 2005
Theoretical prediction of new noble-gas molecules OBNgF (Ng = Ar, Kr, and Xe) Fulltext Access 5 Pages 2005
Photodissociation of o-C6H4I(CH2Cl) in the near ultraviolet: a case of photoselective C-I bond dissociation Fulltext Access 5 Pages 2005
Orientational imaging and tracking of single CdSe nanocrystals by defocused microscopy Fulltext Access 5 Pages 2005
Rydberg vibrational states smeared out in the valence (ionic) vibrational states: C and G 1Σu+ for F2 Fulltext Access 5 Pages 2005
Theoretical and experimental evidence on the structure of benzotriazole in its first triplet electronic state Fulltext Access 5 Pages 2005
General-order single- and multi-reference configuration interaction and coupled-cluster theory: Symmetric dissociation of water Fulltext Access 5 Pages 2005
Sensitive observations of orbital electron density image by electron momentum spectroscopy with different impact energies Fulltext Access 5 Pages 2005
Temperature and pressure dependence of the absorption spectra and decay kinetics of solvated electrons in ethanol from 22 to 250 °C studied by pulse radiolysis Fulltext Access 5 Pages 2005
Limiting high-pressure rate coefficient for the recombination reaction FSO2 + FSO3 â FS(O2)O(O2)SF: An experimental and theoretical study Fulltext Access 5 Pages 2005
Intra and intermodular exchange interactions in bis(α-aminoisobutyrato)oxalamidodicopper(Aib-COCO-Aib)Cu2 Fulltext Access 5 Pages 2005
Study of photoisomerization and photo-orientation of cyano-substituted 4â²-N,N-dimethylamino-nitrosilbene and phenylhydrazone derivatives doped films Fulltext Access 5 Pages 2005
Molecular motions in liquid crystal 4-n-octyloxy-4â²-cyanobiphenyl (8OCB) Fulltext Access 5 Pages 2005
Sites structure and spectroscopic properties of Yb-doped and Yb, Na-codoped CaF2 laser crystals Fulltext Access 5 Pages 2005
The interaction of N2 with active sites of graphite: A theoretical study Fulltext Access 5 Pages 2005
Structural study of hexanethiolate on Au(1Â 1Â 1) in the 'striped' phase Fulltext Access 5 Pages 2005
Ab initio study of nucleation on the diamond (1Â 0Â 0) surface during chemical vapor deposition with methyl and H radicals Fulltext Access 5 Pages 2005
Investigations of electron-paramagnetic-resonance parameters of trigonal (CrO4)4â, (MnO4)3â and (FeO4)2â clusters in Y2SiO4:Cr4+, Ba3(VO4)2:Mn5+ and K2CrO4:Fe6+ crystals Fulltext Access 5 Pages 2005
From OBeHe to H3BOBeHe: Enhancing the stability of a neutral helium compound Fulltext Access 5 Pages 2005
Intermolecular orbital repulsion effect on the blue-shifted hydrogen bond Fulltext Access 5 Pages 2005
A modified version of the analytical potential function for the global ab initio ground-state potential energy surface of the BrH2 system Fulltext Access 5 Pages 2005
Metallic behaviour and molecular motions in a 1-D -Pt-Pt-I- type complex, Pt2(CH3CS2)4I, studied by solid-state 13C and 1H NMR Fulltext Access 5 Pages 2005
Coincidence Doppler broadening study of polar and nonpolar molecules in liquid and solid states Fulltext Access 5 Pages 2005
Glass transition temperature of a cationic polymethacrylate dependent on the plasticizer content - Simulation vs. experiment Fulltext Access 5 Pages 2005
A severe artifact in simulation of liquid water using a long cut-off length: Appearance of a strange layer structure Fulltext Access 5 Pages 2005
Synthesis and optoelectronic properties of arrayed p-type ZnO nanorods grown on ZnO film/Si wafer in aqueous solutions Fulltext Access 5 Pages 2005
An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods Fulltext Access 5 Pages 2005
Surface induced molecular dynamics of thin lipid films confined to submicron cavities: A 1H multiple-quantum NMR study Fulltext Access 5 Pages 2005
Characterization of electronic structure of aluminum (III) bis(2-methyl-8-quninolinato)-4-phenylphenolate (BAlq) for phosphorescent organic light emitting devices Fulltext Access 5 Pages 2005
Rotational spectroscopy of HCl and DCl: A reanalysis based on the non-Born-Oppenheimer effective Hamiltonian Fulltext Access 5 Pages 2005
A new approach for finding a transition state connecting a reactant and a product without initial guess: applications of the scaled hypersphere search method to isomerization reactions of HCN, (H2O)2, and alanine dipeptide Fulltext Access 5 Pages 2005
Deuterium 3D NMR experiments for analysing weakly aligned, isotopically enriched solutes Fulltext Access 5 Pages 2005
Highly 13C isotope enriched azafullerene, C59N, for nuclear spin labelling Fulltext Access 5 Pages 2005
Vertically aligned ZnO nanowires produced by a catalyst-free thermal evaporation method and their field emission properties Fulltext Access 5 Pages 2005
Generalized bloch equations for optical interactions in confined geometries Fulltext Access 5 Pages 2005
Intensities of analogous Rydberg series in CF3Cl, CF3Br and in those of their isolated atoms, Cl and Br Fulltext Access 5 Pages 2005
Anomalous binding sequence of CO ligands to an anionic triplatinum carbonyl complex Fulltext Access 5 Pages 2005
Synthesis and characterization of carbon-doped titania as an artificial solar light sensitive photocatalyst Fulltext Access 5 Pages 2005
Rotational friction on globular proteins combining dielectric and hydrodynamic effects Fulltext Access 5 Pages 2005
Ultrafast vibrational relaxation of O-H bending and librational excitations in liquid H2O Fulltext Access 5 Pages 2005
A density-functional theory study on double-bond isomerization of 1-butene to cis-2-butene catalyzed by zeolites Fulltext Access 5 Pages 2005
Coulomb explosion of hexa-fluorobenzene induced by an intense laser field Fulltext Access 5 Pages 2005
An efficient two-step process for producing opened multi-walled carbon nanotubes of high purity Fulltext Access 5 Pages 2005
Multiple ionization of a silver diatomic molecule in an intense laser field Fulltext Access 5 Pages 2005
Study of transport properties in fullerene-doped polysilane films using flash photolysis time-resolved microwave technique Fulltext Access 5 Pages 2005
The role of the cubic and quartic Jahn-Teller coupling in the XË2E ground electronic state of the methoxy radical CH3O Fulltext Access 5 Pages 2005
Coadsorption of water dimer and ring-hexamer clusters on M(1Â 1Â 1) (MÂ =Â Cu, Ni, Pt) and Ru(0Â 0Â 1) surfaces at 25Â K as studied by infrared reflection absorption spectroscopy Fulltext Access 5 Pages 2005
Study of protein-surfactant interaction using excited state proton transfer Fulltext Access 5 Pages 2005