A first-principles study of the chemi-adsorption of benzene on Au(1Â 0Â 0) surface Fulltext Access 5 Pages 2006
The morphology of thin water films on Pt(1Â 1Â 1) probed by chloroform adsorption Fulltext Access 5 Pages 2006
Femtosecond time-resolved solvation process of a solution: Constraints of vibrational degrees of freedom in the supercooled state Fulltext Access 5 Pages 2006
A multi state-CASPT2 vs. TD-DFT study of the electronic excited states of RCo(CO)4 (RÂ =Â H, CH3) organometallic complexes Fulltext Access 5 Pages 2006
Ambipolar single electron transistors using side-contacted single-walled carbon nanotubes Fulltext Access 5 Pages 2006
Implicit and explicit internal signal stochastic resonance in calcium ion oscillations Fulltext Access 5 Pages 2006
Investigation of the liquid-liquid interface with high spatial resolution using near-field Raman spectroscopy Fulltext Access 5 Pages 2006
Picosecond fluorescence dynamics of auramine with a long aliphatic chain Fulltext Access 5 Pages 2006
Asymmetric current-voltage characteristics of molecular junctions containing bipolar molecules Fulltext Access 5 Pages 2006
Cavity ringdown spectroscopy of the AË-XË electronic transition of the phenyl peroxy radical Fulltext Access 5 Pages 2006
Formation of double-side teethed nanocombs of ZnO and self-catalysis of Zn-terminated polar surface Fulltext Access 5 Pages 2006
Electrically triggered insertion of single-stranded DNA into single-walled carbon nanotubes Fulltext Access 5 Pages 2006
Isothermal-isobaric Monte Carlo simulations of liquid lithium using density functional theory Fulltext Access 5 Pages 2006
First-principle calculation on the electronic structure of the molecule-based ferromagnet Co[P(CN)2]2 and M[N(CN)2]2 (MÂ =Â Co, Ni) Fulltext Access 5 Pages 2006
Affinity of ferrocene and (1,1â²)(3,3â²)[3,3]ferrocenophane to cations Fulltext Access 5 Pages 2006
On the structure and physical origin of van der Waals interaction in zinc, cadmium and mercury dimers Fulltext Access 5 Pages 2006
trans and cis Chromophore structures in the kindling fluorescent protein asFP595 Fulltext Access 5 Pages 2006
Studies on direct electron transfer and biocatalytic properties of hemoglobin in polytetrafluoroethylene film Fulltext Access 5 Pages 2006
Electrospinning of polycrystalline barium titanate nanofibers with controllable morphology and alignment Fulltext Access 5 Pages 2006
About the co-product of the OH radical in the reaction of acetyl with O2 below atmospheric pressure Fulltext Access 5 Pages 2006
Evaluation of nonlinear optical polymers for second-harmonic generation: toward the balance of absorption and nonlinearity against intrinsic trade-off Fulltext Access 5 Pages 2006
DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 2-H heptafluoropropane Fulltext Access 5 Pages 2006
Dipole moments of water molecules confined in Na-LSX zeolites - Molecular dynamics simulations including polarization of water Fulltext Access 5 Pages 2006
Adaptive density partitioning technique in the auxiliary plane wave method Fulltext Access 5 Pages 2006
Surface-enhanced Raman scattering of 4-mercaptopyridine on thin films of nanoscale Pd cubes, boxes, and cages Fulltext Access 5 Pages 2006
Growth control of homogeneous pulsed electrodeposited Co thin films on n-doped Si(1Â 1Â 1) substrates Fulltext Access 5 Pages 2006
Hot band spectroscopy of CCO in the C-O stretching region: The (ν1 + 2ν3) â 2ν3 and (2ν1 + ν3) â (ν1 + ν3) bands Fulltext Access 5 Pages 2006
The effect of stoichiometry on ab initio-based thermochemistry predictions Fulltext Access 5 Pages 2006
Evidence for a blue-shifting intramolecular hydrogen bond in the vibrational overtone spectrum of 1H-nonafluorobutane Fulltext Access 5 Pages 2006
A new nonlinear Raman probe for local structures in liquids and solutions Fulltext Access 5 Pages 2006
Selenium nanotube synthesized via a facile template-free hydrothermal method Fulltext Access 5 Pages 2006
Substituent effect on the nonradiative decay rates from 3MLCT excited state of ruthenium(II) complexes: A quantum chemical treatment Fulltext Access 5 Pages 2006
Interaction energy decomposition analysis for formic acid complexes with argon and krypton atoms Fulltext Access 5 Pages 2006
Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides Fulltext Access 5 Pages 2006
A new technique for cross polarization in solid-state NMR compatible with high spinning frequencies and high magnetic fields Fulltext Access 5 Pages 2006
A modified Ehrenfest method that achieves Boltzmann quantum state populations Fulltext Access 5 Pages 2006
Suppression of undesired peaks due to residual intermolecular dipolar interactions in liquid NMR Fulltext Access 5 Pages 2006
Identifying spectator bonds in modeling reactions: OH + CO â H + CO2 Fulltext Access 5 Pages 2006
Investigation of RuO2/4H-SiC Schottky diode contacts by deep level transient spectroscopy Fulltext Access 5 Pages 2006
Phosphorous atom induced intramolecular charge transfer fluorescence in 9-diphenylphosphinophenanthrene Fulltext Access 5 Pages 2006
Ferromagnetic exchange coupling in a spiro-fused dinuclear nickel(II) complex with an approximate D2d symmetry Fulltext Access 5 Pages 2006
Phase manipulation of continuum generation and stimulated Raman scattering in ethanol Fulltext Access 5 Pages 2006
Probing recombination-rate distribution in organic light-emitting devices with mixed-emitter structure Fulltext Access 5 Pages 2006
Vibrational spectra of crystalline hydrates of atmospheric relevance: Bands of hydrated protons Fulltext Access 5 Pages 2006
Does the radiationless relaxation of Soret-excited metalloporphyrins follow the energy gap law? Fulltext Access 5 Pages 2006
FTIR and computational studies of gas-phase hydrogen atom abstraction kinetics by t-butoxy radical Fulltext Access 5 Pages 2006
Theoretical study of activation CO bond of CH3OCH3 by Ti+ in the gas phase Fulltext Access 5 Pages 2006
Low temperature behaviour of collisions between antiprotonic helium and hydrogenic molecules and an indication of the Wigner threshold law Fulltext Access 5 Pages 2006
Terahertz (THz) spectroscopy of Freon-11 (CCl3F, CFC-11) at room temperature Fulltext Access 5 Pages 2006
Hydrogen bonding in strained cyclic vicinal diols: The birth of the hydrogen bond Fulltext Access 5 Pages 2006
Inclusion of charge and polarizability fluxes provides needed physical accuracy in molecular mechanics force fields Fulltext Access 5 Pages 2006
Mild oxygen plasma treated PEDOT:PSS as anode buffer layer for vacuum deposited organic light-emitting diodes Fulltext Access 5 Pages 2006
Optical properties of cubic SiC grown on Si substrate by chemical vapor deposition Fulltext Access 5 Pages 2006
Device processing and characterisation of high temperature silicon carbide Schottky diodes Fulltext Access 5 Pages 2006
Auger electron spectroscopy study of reactive ion etched silicon carbide Fulltext Access 5 Pages 2006
Scaling potential of pin-type 3-D SBT ferroelectric capacitors integrated in 0.18 μm CMOS technology Fulltext Access 5 Pages 2006
Structural dynamics of 2,3-dimethylnaphthalene crystals revealed by fluorescence of single terrylene molecules Fulltext Access 5 Pages 2006
Infrared spectroscopy of the antisymmetric stretching mode of 16OC18O in helium nanodroplets Fulltext Access 5 Pages 2006
Interplay between theory and experiment in the quest for silica with reduced dimensionality grown on a Mo(1Â 1Â 2) surface Fulltext Access 5 Pages 2006
Hydrated electron decay measurements with picosecond pulse radiolysis at elevated temperatures up to 350 °C Fulltext Access 5 Pages 2006
Vibrational couplings and ultrafast relaxation of the O-H bending mode in liquid H2O Fulltext Access 5 Pages 2006
Observation of energy transfer from host to rare earth ions in Pr3+-doped CdSiO3 long-lasting phosphor Fulltext Access 5 Pages 2006
Quantum interference in energy transfer of CO(A1Î , v = 0-e3Σâ, v = 1): Differential interference angle Fulltext Access 5 Pages 2006
High repetition rate cavity ringdown spectroscopy of vibrational overtones of H13C13CH at around 12Â 200Â cmâ1 Fulltext Access 5 Pages 2006
Entropy-induced micellization of block copolymer in aqueous solution in presence of selective additives Fulltext Access 5 Pages 2006
A novel 2D graphical representation of DNA sequences and its application Fulltext Access 5 Pages 2006
Debundling by dilution: Observation of significant populations of individual MoSI nanowires in high concentration dispersions Fulltext Access 5 Pages 2006
Conjugation length dependence of relaxation kinetics in β-carotene homologs probed by femtosecond Kerr-gate fluorescence spectroscopy Fulltext Access 5 Pages 2006
Photophysical and photochemical properties of corannulenes studied by emission and optoacoustic measurements, laser flash photolysis and pulse radiolysis Fulltext Access 5 Pages 2006
Computer simulation of bistable switching in a nematic device containing pear-shaped particles Fulltext Access 5 Pages 2006
Electron impact vibrational excitation of F2CO molecules: A comparison with H2CO Fulltext Access 5 Pages 2006
Production of the radicals in the ozonolysis of ethene: A chamber study by FT-IR and PERCA Fulltext Access 5 Pages 2006
Assignment of the benzo-1,2:4,5-bis(1,3,2-dithiazolyl) ground state using the broken symmetry technique Fulltext Access 5 Pages 2006
Explicit and GB/SA solvents: Each with two different force fields in multicanonical conformational sampling of a 25-residue polypeptide Fulltext Access 5 Pages 2006