Steering wave packet dynamics and population transfer between electronic states of the Na2 molecule by femtosecond laser pulses Fulltext Access 8 Pages 2005
The cooperative nature of hydrophobic forces and protein folding kinetics Fulltext Access 8 Pages 2005
Theoretical investigation of hydrogen transfer mechanism in the adenine-thymine base pair Fulltext Access 8 Pages 2005
Can gallium dimer react effectively with three H2 molecules to form digallane? Fulltext Access 8 Pages 2005
A systematic study of global analysis of diffusion-mediated fluorescence quenching data Fulltext Access 8 Pages 2005
Electroabsorption (Stark effect) spectroscopy of monomeric purine and pyrimidine bases Fulltext Access 8 Pages 2005
Sixth-order Douglas-Kroll: two-component reference data for one-electron ions from 1s12 through 4f72 Fulltext Access 8 Pages 2005
Energetics and structure of the bound states in a lithium complex: The (LiH2)+ electronic ground state Fulltext Access 8 Pages 2005
Photofragmentation of C, F and S K-shell excited CF3SF5 studied by PEPICO and PIPICO spectroscopy Fulltext Access 8 Pages 2005
A theoretical study of the role of the hydrogen bond on core ionization of the water dimer Fulltext Access 8 Pages 2005
Photophysical characterisation of some dipyrromethene dyes in ethyl acetate and covalently bound to poly(methyl methacrylate) Fulltext Access 8 Pages 2005
Structure and dynamics of solvated Ba(II) in dilute aqueous solution - an ab initio QM/MM MD approach Fulltext Access 8 Pages 2005
Renormalization group theory for fluids including critical region. II. Binary mixtures Fulltext Access 8 Pages 2005
Charge-transfer hole-lifetime broadening of the Cu Auger-electron spectra of high Tc superconductors Fulltext Access 8 Pages 2005
X-ray spectroscopy study on the electronic structure of hole-doped edge-shared chains in Ca2+xY2âxCu5O10 Fulltext Access 8 Pages 2005
Evaluation of a simple correction for the hydrocarbon contamination layer in quantitative surface analysis by XPS Fulltext Access 8 Pages 2005
Ab initio calculations and mechanism of two proton migration reactions of ethoxy radical Fulltext Access 8 Pages 2005
Interaction of -CClx (x=1-3) with Ru2 and RuSn dimers: a density functional study Fulltext Access 8 Pages 2005
Symmetry contaminations in reactive scattering through long-lived collision complexes Fulltext Access 8 Pages 2005
Ab initio potential energy surface for HeF2 in its ground electronic state Fulltext Access 8 Pages 2005
Theoretical study of the stereodynamics of the reaction Cl + C3H8 â C3H7 + HCl Fulltext Access 8 Pages 2005
Curvature contributions to the static electrical properties of push-pull molecules Fulltext Access 8 Pages 2005
A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels Fulltext Access 8 Pages 2005
High-frequency interaction-induced rototranslational wings of anisotropic nitrogen spectra Fulltext Access 8 Pages 2005
Magnetic properties of d1-d1-d2 MV trimers with partial electron delocalization in the generalized vibronic model Fulltext Access 8 Pages 2005
Computational studies on the thermal decomposition and isomerization of CHBr2O radical Fulltext Access 8 Pages 2005
Blue-shifted hydrogen-bonded complexes. II. CH3Fâ¯(HF)1 ⩽ n ⩽ 3 and CH2F2â¯(HF)1 ⩽ n ⩽ 3 Fulltext Access 8 Pages 2005
Dehydration energies of alkaline earth metal halides - a novel simulation methodology Fulltext Access 8 Pages 2005
Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study Fulltext Access 8 Pages 2005
Cluster-assistant generation of multiply charged atomic ions in nanosecond laser ionization of seeded methyl iodide beam Fulltext Access 8 Pages 2005
Accurate static electric dipole polarizability calculations of +3 charged lanthanide ions Fulltext Access 8 Pages 2005
Large-scale electron correlation calculations in the framework of the spin-free dirac formalism: the Au2 molecule revisited Fulltext Access 8 Pages 2005
Comparing the chemical properties of evaporated and sputtered niobium films on oxidized Si(1Â 0Â 0) wafers - preparation of oxynitride films Fulltext Access 8 Pages 2005
Tribological behavior of self-assembled double layer measured by a pin-on-plate method Fulltext Access 8 Pages 2005
Impact of laser scribing for efficient device separation of LED components Fulltext Access 8 Pages 2005
XPS study of the ultrathin a-C:H films deposited onto ion beam nitrided AISI 316 steel Fulltext Access 8 Pages 2005
Thermionic contrast between the mean work functions effective for thermal positive-ionic and electronic emissions from polycrystalline tungsten surfaces heated in vacuum: comparison between theory and experiment Fulltext Access 8 Pages 2005
Study on cord/rubber interface at elevated temperatures by H-pull test method Fulltext Access 8 Pages 2005
Influence of the morphology of ferroelectric SrBi2Ta2O9 thin films deposited by metal organic decomposition on its electrical characteristics Fulltext Access 8 Pages 2005
Characteristics of scandate-impregnated cathodes with sub-micron scandia-doped matrices Fulltext Access 8 Pages 2005
Emission efficiency optimization of RE2O3 doped molybdenum thermionic cathode by application of pattern recognition method Fulltext Access 8 Pages 2005
Analytical interfacial studies of double carbonate thermionic oxide cathodes over accelerated operational life Fulltext Access 8 Pages 2005
Microstructure and laser-induced damage threshold of ZrO2 coatings dependence on annealing temperature Fulltext Access 8 Pages 2005
Characterisation of erbium-erbium oxide bilayer structures deposited on GaSb substrates by electron beam evaporation Fulltext Access 8 Pages 2005
Effect of boron paste thickness on the growth kinetics of Fe2B boride layers during the boriding process Fulltext Access 8 Pages 2005
The study of the effect of Ba coverage through the accelerations lifetime of activated BaO/SrO cathodes Fulltext Access 8 Pages 2005
Study on electron emission suppression characteristic of molybdenum grid coated with Hf film by ion beam assisted deposition Fulltext Access 8 Pages 2005
AlN thin films fabricated by ultra-high vacuum electron-beam evaporation with ammonia for silicon-on-insulator application Fulltext Access 8 Pages 2005
Variations of work function and corrosion behaviors of deformed copper surfaces Fulltext Access 8 Pages 2005
Channel-facilitated membrane transport: Constructive role of particle attraction to the channel pore Fulltext Access 8 Pages 2005
On the use of empirically corrected theoretical procedures in preparative chemistry: Synthesis, spectroscopic and theoretical studies on 1,3-bis(trimethylsilyl)benzimidazol-2-one Fulltext Access 8 Pages 2005
Third-order transport properties of ion-swarms from mobility and diffusion coefficients Fulltext Access 8 Pages 2005
Transition state structure, energetics, and rate constants for the CH4 + F(2P) â CH3 + HF reaction Fulltext Access 8 Pages 2005
Forces due to changes of electronic density: A complementary view of the Jahn-Teller effect Fulltext Access 8 Pages 2005
Theoretical studies on the interaction of the CrO42-andSO42- anions with biologically relevant ligands: NO+, NO, O2+, OH, imidazole and methylimidazoles Fulltext Access 8 Pages 2005
A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (AÂ =Â N, P; BÂ =Â H, F) molecules Fulltext Access 8 Pages 2005
Inhomogeneous electrochemiluminescence. II Markovian encounter theory of the phenomenon Fulltext Access 8 Pages 2005
Electromodulation of fluorescence in hole-transporting materials for organic light-emitting diodes. Part II: Starburst amines Fulltext Access 8 Pages 2005
The conformational potential energy surface of IOONO and the isomerization and decomposition processes Fulltext Access 8 Pages 2005
Hydration and temperature dependent dynamics of lysozyme in glucose-water matrices. A neutron scattering study Fulltext Access 8 Pages 2005
Dynamical heterogeneity in glass-forming toluene: Comparison of bulk and confined conditions by quasielastic neutron scattering and molecular dynamics simulations Fulltext Access 8 Pages 2005
A simple method for the preparation of ultrahigh sensitivity surface enhanced Raman scattering (SERS) active substrate Fulltext Access 8 Pages 2005
A unified picture of energy and electron transfer in primary photosynthesis Fulltext Access 8 Pages 2005
Electrical resistivity of monolayers and bilayers of alkanethiols in tunnel junction with gate electrode Fulltext Access 8 Pages 2005
Electrocatalytic activation of Ni for H2 evolution by spontaneous deposition of Ru Fulltext Access 8 Pages 2005
Electronic structure of S-C6H5 self-assembled monolayers on Cu(1Â 1Â 1) and Au(1Â 1Â 1) substrates Fulltext Access 8 Pages 2005
Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions Fulltext Access 8 Pages 2005
Three-coupled-oscillator model for nonlinear optical response of chiral molecules with tripod-like structure Fulltext Access 8 Pages 2005
Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene Fulltext Access 8 Pages 2005
Emission properties of single CdSe/ZnS quantum dots close to a dielectric interface Fulltext Access 8 Pages 2005
A pyrazine derivative as corrosion inhibitor for steel in sulphuric acid solution Fulltext Access 8 Pages 2005
Modification of PS films by combined treatment of ozone aeration and UV irradiation in aqueous ammonia solution for the introduction of amine and amide groups on their surface Fulltext Access 8 Pages 2005