Pulsed field ionisation-ZEKE photoelectron spectrum of o-, m- and p-tolunitrile Fulltext Access 7 Pages 2005
Mass analyzed threshold ionization of hydrogen bonded clusters of biological molecules: the 3-methylindole·C6H6 complex Fulltext Access 7 Pages 2005
Imaging of doped Si in low and very low voltage SEM: the contrast interpretation Fulltext Access 7 Pages 2005
Influence of nitrogen vacancies on the N K-ELNES spectrum of titanium nitride Fulltext Access 7 Pages 2005
Energy relaxation through the Ï*-state in C, F and O K-shell excited CF3COCH3 Fulltext Access 7 Pages 2005
X-ray absorption spectroscopy of biological photolysis products: kilohertz photolysis and soft X-ray applications Fulltext Access 7 Pages 2005
Near edge X-ray absorption fine structure (NEXAFS) of model compounds for the humic acid/actinide ion interaction Fulltext Access 7 Pages 2005
The rotational spectrum of the 3,3-dimethyloxetaneâ¯hydrogen chloride complex Fulltext Access 7 Pages 2005
The asymmetric nature of charge transfer states of the cyano-substituted proton sponge Fulltext Access 7 Pages 2005
Excited state dynamics of a PYP chromophore model system explored with ultrafast infrared spectroscopy Fulltext Access 7 Pages 2005
C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment Fulltext Access 7 Pages 2005
Interplay between Ï-Ï interactions and the H-bonding ability of aromatic nitrogen bases Fulltext Access 7 Pages 2005
Ionic solvation in polar supercritical fluids: an integral equation study Fulltext Access 7 Pages 2005
New correlation indices invariant to band shifts in generalized two-dimensional correlation infrared spectroscopy Fulltext Access 7 Pages 2005
Preparation of a wave packet through a mixed level in Li2; predissociation of one member of the superposition Fulltext Access 7 Pages 2005
Weak hydrogen bonds C-Hâ¯S and C-Hâ¯F-C in the thiirane-trifluoromethane dimer Fulltext Access 7 Pages 2005
Free-jet rotational spectrum and tunneling motion in difluoromethaneâ¯krypton Fulltext Access 7 Pages 2005
Influence of isotherm inflection on the diffusivities of C5-C8 linear alkanes in MFI zeolite Fulltext Access 7 Pages 2005
Molecular dynamics simulation of single DNA stretching reveals a novel structure Fulltext Access 7 Pages 2005
Molecular alignment and rotational dynamics in ordered media analyzed by means of gradient-expansion and genetic algorithms Fulltext Access 7 Pages 2005
Thionin in a cyclodextrin nanocavity: Measuring local compressibilities by pressure tuning hole burning spectroscopy Fulltext Access 7 Pages 2005
Metal-water interactions and hydrogen bonding in dittmarite-type compounds Mâ²Mâ³PO4·H2O (Mâ²Â = K+, NH4+; Mâ³Â = Mn2+, Co2+, Ni2+) Fulltext Access 7 Pages 2005
The spectroscopic properties of Er3+-doped TeO2-Nb2O5 glasses with high mechanical strength performance Fulltext Access 7 Pages 2005
Spectroscopic study on the photophysical properties of novel lanthanide complexes with long chain mono-L phthalate (LÂ =Â hexadecyl, octadecyl and eicosyl) Fulltext Access 7 Pages 2005
A spectroscopic study of the inclusion of azulene by β- and γ-cyclodextrins Fulltext Access 7 Pages 2005
Iron pentacarbonyl detection limits in the cigarette smoke matrix using FT-IR spectroscopy Fulltext Access 7 Pages 2005
Infrared and laser Raman spectral studies of bis(dl-aspartic acid) sulfate Fulltext Access 7 Pages 2005
The phase transition temperatures of a liquid crystal determined from FT-IR spectra explored by principal component analysis Fulltext Access 7 Pages 2005
Spectroscopic properties and Judd-Ofelt theory analysis of erbium chelates Fulltext Access 7 Pages 2005
Solid state 13C NMR and FT-IR spectroscopy of the cocoon silk of two common spiders Fulltext Access 7 Pages 2005
The viscosity and temperature dependence of X-band ESR lineshapes of Gd(III) aqueous complex Fulltext Access 7 Pages 2005
Fe3+ ions in alkali lead tetraborate glasses-an electron paramagnetic resonance and optical study Fulltext Access 7 Pages 2005
FT-IR spectroscopic study on the variations of molecular structures of some carboxyl acids induced by free electron laser Fulltext Access 7 Pages 2005
Effect of protic solvents on twisted intramolecular charge transfer state formation in coumarin-152 and coumarin-481 dyes Fulltext Access 7 Pages 2005
Determination of dipole moment in the ground and excited state by experimental and theoretical methods of N-nonyl acridine orange Fulltext Access 7 Pages 2005
Structural and thermal characterization of ternary complexes of piroxicam and alanine with transition metals: Uranyl binary and ternary complexes of piroxicam Fulltext Access 7 Pages 2005
EPR investigations on radiation induced chemical transformations in Pd(ClO4)2/i-PrOH/HClO4 system from 77 to 300Â K Fulltext Access 7 Pages 2005
Structural and thermal characterization of cerium, thorium and uranyl complexes of sulfasalazine Fulltext Access 7 Pages 2005
Spectrophotometric determination of the dissociation constants of crown ethers with grafted acridone unit in methanol based on Benesi-Hildebrand evaluation Fulltext Access 7 Pages 2005
Responsiveness of the first combination band of water to the state in organic and polymeric medium Fulltext Access 7 Pages 2005
UV-vis, IR and 1H NMR spectroscopic studies of some mono- and bis-azo-compounds based on 2,7-dihydroxynaphthalene and aniline derivatives Fulltext Access 7 Pages 2005
Spectral and theoretical studies of N-p-(ethylbenzene)thiobenzohydroxamic acid metal chelates 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
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
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
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
Positron annihilation lifetime and coincidence Doppler broadening study of γ-irradiated polyethylene Fulltext Access 7 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
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
Mobility of CD4 molecules in nanoscale cages of zeolites as studied by deuteron NMR relaxation 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
Phenylacetylene adsorption on Rh(1Â 0Â 0): a photoemission and photoabsorption investigation Fulltext Access 7 Pages 2005
Structural features responsible for GFPuv and S147P-GFP's improved fluorescence Fulltext Access 7 Pages 2005
Giant fluctuations of second harmonic generation on nanostructured surfaces 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
Internal rotation of methyl group in 2- and 1-methylanthracene studied by electronic spectroscopy and DFT calculations 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