Spectroscopic constants and potential energy curves of gallium nitride (GaN) and ions: GaN+ and GaNâ Fulltext Access 7 Pages 2006
Two-photon absorption of new multibranched chromophore with dibenzothiophene core Fulltext Access 7 Pages 2006
Magnetic field effect on pyrene-DMA exciplex luminescence in non-aqueous AOT reverse micelle 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
Polymer electrolytes containing ionic liquids with acidic counteranion (DMRImH2PO4, RÂ =Â ethyl, butyl and octyl) 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
Symmetries and detailed balance in forward-backward semiclassical dynamics 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
On the stability of dense versus cage-shaped water clusters: Quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)12 and (H2O)20 Fulltext Access 7 Pages 2006
IV characteristics of molecular wires in the presence of intramolecular vibrational energy redistribution Fulltext Access 7 Pages 2006
Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering Fulltext Access 7 Pages 2006
Non-Markovian decay beyond the Fermi Golden Rule: Survival collapse of the polarization in spin chains Fulltext Access 7 Pages 2006
Helix-to-coil transitions in proteins: Helicity resonance in ultrafast electron diffraction Fulltext Access 7 Pages 2006
The vertical electronic spectrum of pyrrole: A second and third order n-electron valence state perturbation theory study Fulltext Access 7 Pages 2006
Hydrogen-bonding between cytosine and water: Computational evidence for a ring-opened complex Fulltext Access 7 Pages 2006
Low-temperature synthesis of single-walled carbon nanotubes with a narrow diameter distribution using size-classified catalyst nanoparticles Fulltext Access 7 Pages 2006
How lipid hydration and temperature affect the structure of DC-Chol-DOPE/DNA lipoplexes Fulltext Access 7 Pages 2006
Addition and hydrogen abstraction reactions of an OH radical with 8-oxoguanine Fulltext Access 7 Pages 2006
Analytical gradient of restricted second-order Møller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex 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
Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study Fulltext Access 7 Pages 2006
Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters Fulltext Access 7 Pages 2006
Simulation of the life cycle of adsorbate islands on the Pt(1Â 0Â 0) surface during the NOÂ +Â NH3 reaction Fulltext Access 7 Pages 2006
Temperature-dependent photoluminescence of organic light-emitting materials: Types and characteristics of excitons involved in the emitting process 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
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
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
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
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
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
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
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
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
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
The dipole moment derivatives of gaseous benzene: A comparison of experimental and ab initio values 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