The dipole moment derivatives of gaseous benzene: A comparison of experimental and ab initio values Fulltext Access 7 Pages 2006
On the synthesis and characterization of iron-containing garnets (Y3Fe5O12, YIG and Fe3Al5O12, IAG) Fulltext Access 7 Pages 2006
Influence of substrate morphology on organic layer growth: PTCDA on Ag(1Â 1Â 1) Fulltext Access 7 Pages 2006
Use of the neighboring orbital model for analysis of electronic coupling in Class III intervalence compounds Fulltext Access 7 Pages 2006
Quantum chemical investigation of a dinuclear iridium porphyrin and its dipositive Ï-cation biradical Fulltext Access 7 Pages 2006
First-principles study of H adsorption on and absorption in Cu(1Â 1Â 1) surface Fulltext Access 7 Pages 2006
A Monte Carlo simulation of nutrient diffusion and reaction in immobilized cell systems Fulltext Access 7 Pages 2006
First-principles study on the geometry and stability of CO and hydrogen coadsorption on the Ni(1Â 1Â 1)2Â ÃÂ 2 surface Fulltext Access 7 Pages 2006
The structures, stability, and photoelectron spectroscopy of GaPXâ (XÂ =Â C, Si, Ge; O, S; P and Ga) clusters Fulltext Access 7 Pages 2006
A Monte Carlo simulation for the micellization of ABC 3-miktoarm star terpolymers in a selective solvent Fulltext Access 7 Pages 2006
Neutral oxygen atom density in the MESOX air plasma solar furnace facility Fulltext Access 7 Pages 2006
A molecular dynamics study for the isomerization of Ar solvated (benzene)2-K+ heteroclusters Fulltext Access 7 Pages 2006
Theory and simulation of charge transfer through DNA - nanotube contacts Fulltext Access 7 Pages 2006
Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH Fulltext Access 7 Pages 2006
Ground state isomerism and dual emission of the β-carboline anhydrobase (N2-methyl-9H-pyrido[3,4-b]indole) in aprotic solvents Fulltext Access 7 Pages 2006
Structural and morphological properties of silver nanoparticles-phosphate glass composites Fulltext Access 7 Pages 2006
Correlation of PEO conformations and solvation in PEO-NaSCN polymer electrolytes Fulltext Access 7 Pages 2006
Characterization of triblock copolymer E67S15E67-surfactant interactions Fulltext Access 7 Pages 2006
Symmetries and detailed balance in forward-backward semiclassical dynamics Fulltext Access 7 Pages 2006
Cylodextrins effects in the substitution reaction of 4,4â²-bpy for the aquo ligand in aquopentacyanoferrate (II): An estimation of the binding constants of the reactant and the transition state to cyclodextrins Fulltext Access 7 Pages 2006
Infrared depletion spectroscopy of the doubly hydrogen-bonded aniline-(tetrahydrofuran)2 complex produced in supersonic jet Fulltext Access 7 Pages 2006
Two-photon absorption of a supramolecular pseudoisocyanine J-aggregate assembly Fulltext Access 7 Pages 2006
Dielectric properties associated with structural phase transitions observed in tetramethylammonium salt of o-phenylenebis(squaric acid) Fulltext Access 7 Pages 2006
Rotational reorientation dynamics of ionic dye solutes in polar solvents with the application of a general model for the solvation shell Fulltext Access 7 Pages 2006
Strange temperature dependence of the folding rate of a 16-residue β-hairpin Fulltext Access 7 Pages 2006
Coherent charge transport through molecular wires: Influence of strong Coulomb repulsion Fulltext Access 7 Pages 2006
Structures and calculated NLO properties of (acenaphthylene)- and (acenaphthene)Cr(CO)3 Fulltext Access 7 Pages 2006
Fabrication and nonlinear optical properties of an ultrathin film with acceptor-donor periodically overlapping structure Fulltext Access 7 Pages 2006
Ab initio configuration interaction study on the energetics and electronic structure of the 1-52Σ+ and 1-32Πstates of CS+ Fulltext Access 7 Pages 2006
On the role of dissociative ÏÏ* states in the photochemistry of protonated tryptamine and tryptophan: An ab initio study Fulltext Access 7 Pages 2006
On the relation between oxygen diffusion and secondary relaxation in glassy n-butanol Fulltext Access 7 Pages 2006
Electric properties of the azide ion calculated with a systematic sequence of Gaussian-type basis sets Fulltext Access 7 Pages 2006
Experimental (UV-Raman) and theoretical (DFT) study of pyridine carboxylic acid in aqueous solution Fulltext Access 7 Pages 2006
Double-channel recombination of the radical pairs via incoherent Îg-mechanism of spin-conversion Fulltext Access 7 Pages 2006
Towards understanding the superior properties of transition metal oxynitrides prepared by reactive DC magnetron sputtering Fulltext Access 7 Pages 2006
First principles calculations on Na and K-adsorbed diamond(1Â 0Â 0) surface Fulltext Access 7 Pages 2006
Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance Fulltext Access 7 Pages 2006
A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers Fulltext Access 7 Pages 2006
Orientation-dependent mobilities from analyses of two-dimensional TiN(111) island decay kinetics Fulltext Access 7 Pages 2006
Effect of the microstructure of Si3N4 on the adhesion strength of TiN film on Si3N4 Fulltext Access 7 Pages 2006
The effect of hydrogen in the mechanism of aluminum-induced crystallization of sputtered amorphous silicon using scanning Auger microanalysis Fulltext Access 7 Pages 2006
Refractive indices of textured indium tin oxide and zinc oxide thin films Fulltext Access 7 Pages 2006
Deposition of Sm2O3 doped CeO2 thin films from Ce(DPM)4 and Sm(DPM)3 (DPM=2,2,6,6-tetramethyl-3,5-heptanedionato) by aerosol-assisted metal–organic chemical vapor deposition Fulltext Access 7 Pages 2006
Characterization and microstructure of highly preferred oriented lead barium titanate thin films on MgO (100) by sol-gel process Fulltext Access 7 Pages 2006
Chemical vapor deposition of aluminum from methylpyrrolidine alane complex Fulltext Access 7 Pages 2006
Matrix isolation and theoretical study of the photochemical reactions of C2H3Br and 1,2-C2H2Br2 with CrO2Cl2 Fulltext Access 7 Pages 2006
Modeling of optical and electrical properties of In2O3 : Sn coatings made by various techniques Fulltext Access 7 Pages 2006
Accuracy of empirical angular variation model for solar absorptance of architectural glazing Fulltext Access 7 Pages 2006
Sol–gel preparation of TiO2–ZrO2 thin films supported on glass rings: Influence of phase composition on photocatalytic activity Fulltext Access 7 Pages 2006
Advanced generation of rotatable magnetron technology for high performance reactive sputtering Fulltext Access 7 Pages 2006
Poly-Si films prepared by rapid thermal CVD on boron and phosphorus silicate glass coated ceramic substrates Fulltext Access 7 Pages 2006
A novel approach for co-firing optimization in RTP for the fabrication of large area mc-Si solar cell Fulltext Access 7 Pages 2006
A theoretical study on the dissociation of Cl2 on MgO(0Â 0Â 1) surface: Prompted by silver atoms supported on surface Fulltext Access 7 Pages 2006
The effect of perturbing gas density on the intensity distribution in rovibrational absorption bands Fulltext Access 7 Pages 2006
Photophysical studies of six amphiphilic 2:1 cyclodextrin:[60]fullerene derivatives Fulltext Access 7 Pages 2006
Semiconductor/molecule transport junctions: An analytic form for the self-energies Fulltext Access 7 Pages 2006
Bromine functionalized molecular adlayers on hydrogen passivated silicon surfaces Fulltext Access 7 Pages 2006
Time-dependent quantum study of the kinetics of the O(1D)Â +Â HBr reaction Fulltext Access 7 Pages 2006
Towards the characterization of energy-transfer processes in organic donor-acceptor dyads based on triphenyldiamine and perylenebisimides Fulltext Access 7 Pages 2006
Photoemission studies of gold clusters thermally evaporated on multiwall carbon nanotubes Fulltext Access 7 Pages 2006
Configuration interaction oscillator strengths of the H2O molecule: Transitions from the ground to the Bâ¼1A1,Câ¼1B1,Dâ¼1A1, and 11B2 excited states Fulltext Access 7 Pages 2006
Electro-fragmentation analysis of dielectric thin films on flexible polymer substrates Fulltext Access 7 Pages 2006
Growth kinetics of tin oxide nanocrystals in colloidal suspensions under hydrothermal conditions Fulltext Access 7 Pages 2006
A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations Fulltext Access 7 Pages 2006
Electronic structure of hexafluorobenzene by high-resolution vacuum ultraviolet photo-absorption and He(I) photoelectron spectroscopy Fulltext Access 7 Pages 2006
Computational studies of one-electron properties of lithium hydride in confinement Fulltext Access 7 Pages 2006
Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy Fulltext Access 7 Pages 2006
Studies on the local structures of the substitutional and interstitial Ni3+ centers in rutile Fulltext Access 7 Pages 2006
Synthesis and optical characterization of poly(styrene sulfonate) films doped with Nd(III) Fulltext Access 7 Pages 2006
Polarized IR spectra of resonance assisted hydrogen bond (RAHB) in 2-hydroxyazobenzenes Fulltext Access 7 Pages 2006
Time-dependent study of single-molecule SERS signal from yeast cytochrome c Fulltext Access 7 Pages 2006