Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths Fulltext Access 5 Pages 2005
Molecular rotation-vibration coupling by quantum wavepacket interference at potential energy curve crossings Fulltext Access 5 Pages 2005
A new search algorithm for QSPR/QSAR theories: Normal boiling points of some organic molecules Fulltext Access 5 Pages 2005
Improvement in performance of organic light-emitting diodes by adjusting charge-carrier mobility in organic/inorganic hybrid hole transporting layer Fulltext Access 5 Pages 2005
Investigation of moisture diffusion in epoxy system: Experiments and molecular dynamics simulations Fulltext Access 5 Pages 2005
A direct ab initio dynamics study of the initial decomposition steps of gas phase 1,3,3-trinitroazetidine Fulltext Access 5 Pages 2005
Fabrication of organic copper phthalocyanine nanowire arrays via a simple AAO template-based electrophoretic deposition Fulltext Access 5 Pages 2005
Replica-exchange molecular dynamics simulation of small peptide in water and in ethanol Fulltext Access 5 Pages 2005
Growth, nitrogen doping and characterization of isolated single-wall carbon nanotubes using liquid precursors Fulltext Access 5 Pages 2005
Investigation of microwave effects on the oscillatory Bray-Liebhafsky reaction Fulltext Access 5 Pages 2005
Comparison of the chain length dependence of the singlet- and triplet-excited states of oligofluorenes Fulltext Access 5 Pages 2005
Proton ENDOR study of the primary donor P740+, a special pair of chlorophyll d in photosystem I reaction center of Acaryochloris marina Fulltext Access 5 Pages 2005
Anion-induced changes in the absorption and fluorescence properties of lumichrome: A new off-the-shelf fluorescent probe Fulltext Access 5 Pages 2005
Intercalation of dimethyl sulphoxide in kaolinite: Molecular dynamics simulation study Fulltext Access 5 Pages 2005
Iron-catalytic growth of prism-shaped single-crystal silicon nanowires by chemical vapor deposition of silane Fulltext Access 5 Pages 2005
Photoluminescence and micro-Raman scattering in ZnO nanoparticles: The influence of acetate adsorption Fulltext Access 5 Pages 2005
Spectroscopic evidence for the low-temperature charge-separated state of [Pd(dmit)2] salts Fulltext Access 5 Pages 2005
Conformations and laser-induced fluorescence spectroscopy of jet-cooled 2-(p-fluorophenyl)ethanol Fulltext Access 5 Pages 2005
Synthesis, isolation and spectroscopic characterization of Yb-containing high metallofullerenes Fulltext Access 5 Pages 2005
Imaging and dispersion relations of surface plasmon modes in silver nanorods by near-field spectroscopy Fulltext Access 5 Pages 2005
Synthesis and photoluminescence of corn-like ZnO nanostructures under solvothermal-assisted heat treatment Fulltext Access 5 Pages 2005
Cation-like Doppler shifts from a neutral molecule in an electrical discharge Fulltext Access 5 Pages 2005
The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology Fulltext Access 5 Pages 2005
Time-dependent density functional theory for polycyclic aromatic hydrocarbon anions: What is the best approach Fulltext Access 5 Pages 2005
Thermochemical study of the liquid phase equilibrium reaction of dihalomethanes by NMR spectroscopy Fulltext Access 5 Pages 2005
Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water Fulltext Access 5 Pages 2005
Any l-state solutions of the Morse potential through the Pekeris approximation and Nikiforov-Uvarov method Fulltext Access 5 Pages 2005
Excited-state dynamics of trans,trans-distyrylbenzene: A femtosecond transient absorption study Fulltext Access 5 Pages 2005
Fabrication and characterization of field-effect transistor device with C2v isomer of Pr@C82 Fulltext Access 5 Pages 2005
Structural characterization of mesoporous silica nanowire arrays grown in porous alumina templates Fulltext Access 5 Pages 2005
Excitation energy transfer in the antenna system with divinyl-chlorophylls in the vinyl reductase-expressing Arabidopsis Fulltext Access 5 Pages 2005
Theoretical study of the interaction d10-s2 between Pt(0) and Tl(I) on the [Pt(PH3)3Tl]+ complex Fulltext Access 5 Pages 2005
Site-specific fragmentation caused by Si:1s core-level photoionization of F3SiCH2CH2Si(CH3)3 vapor Fulltext Access 5 Pages 2005
Indium-related novel architecture of GaN nanorod grown by molecular beam epitaxy Fulltext Access 5 Pages 2005
Raman scattering analysis of changes induced by chemical treatment of double-walled carbon nanotubes Fulltext Access 5 Pages 2005
Anode catalysts for enhanced methanol oxidation: An in situ XANES study of PtRu/C and PtMo/C catalysts Fulltext Access 5 Pages 2005
The interaction of N2 with active sites of a single-wall carbon nanotube Fulltext Access 5 Pages 2005
Methylsilane on Cu(1Â 1Â 1): A MDS study of the formation of the surface silicide Fulltext Access 5 Pages 2005
Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex Fulltext Access 5 Pages 2005
Cubic or monoclinic Y2O3:Eu3+ nanoparticles by one step flame spray pyrolysis Fulltext Access 5 Pages 2005
Direct dynamics studies on the isomerization and H2 elimination reactions of H3PS Fulltext Access 5 Pages 2005
Proton transfer in malonaldehyde: From reaction path to Schrödinger's Cat Fulltext Access 5 Pages 2005
Optimal feedback control of two-photon fluorescence in Coumarin 515 based on genetic algorithm Fulltext Access 5 Pages 2005
Voltammetric redox potentials of carotenoids associated with the xanthophyll cycle in photosynthesis Fulltext Access 5 Pages 2005
Isotope effects in the ultrafast photodissociation of acetone 3s Rydberg state excited at 195Â nm Fulltext Access 5 Pages 2005
Unusual properties of aqueous solutions of l-proline: A molecular dynamics study Fulltext Access 5 Pages 2005
A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation Fulltext Access 5 Pages 2005
Dipole moment of aniline in the excited S1 state from thermochromic effect on electronic spectra Fulltext Access 5 Pages 2005
Wavelength dependence of the retardation effects in silver nanoparticles followed by polarization resolved hyper Rayleigh scattering Fulltext Access 5 Pages 2005
Complete temperature study of the relaxation from the high-spin state to low-spin state in a strongly cooperative spin crossover compound Fulltext Access 5 Pages 2005
Entanglement as measure of electron-electron correlation in quantum chemistry calculations Fulltext Access 5 Pages 2005
Insights into the interplay between electronic structure and protein dynamics: The case of ubiquitin Fulltext Access 5 Pages 2005
Structure and stability of endohedral X@Si20H20 complexes (XÂ =Â Li0/+, Na0/+, K0/+, Be0/2+, Mg0/2+, Ca0/2+) Fulltext Access 5 Pages 2005
Dependence of the optical saturation of fluorescence on rotational diffusion Fulltext Access 5 Pages 2005
A DFT study on the double bond migration of butene catalyzed by ionic pair of 1-ethyl-3-methyl-imidazolium fluoride Fulltext Access 5 Pages 2005
Generalised topological indices: Optimisation methodology and physico-chemical interpretation Fulltext Access 5 Pages 2005
Production of HO2 and O2 by multiple ionization in water radiolysis by swift carbon ions Fulltext Access 5 Pages 2005
Inelastic scattering matrix elements, cross sections and rate constants for transition B(2P1/2) + H2(j = 0) â B(2P3/2) + H2(j = 0) Fulltext Access 5 Pages 2005
Effects of activation conditions on the electrochemical capacitance of activated carbon nanotubes Fulltext Access 5 Pages 2005
DFT and TD-DFT investigation of the ground and excited states for dinuclear and mononuclear copper(I) and silver(I) complexes of 3,5-bis(trifluoromethyl)pyrazole and related bis(pyrazolyl)borate Fulltext Access 5 Pages 2005
Current-independent quantum fluid dynamics of helium atom in strong time-dependent magnetic field Fulltext Access 5 Pages 2005
Local orientational distribution of molecular monolayers probed by nonlinear microscopy Fulltext Access 5 Pages 2005
Decontamination of 2-chloroethyl ethylsulfide using titanate nanoscrolls Fulltext Access 5 Pages 2005
Propensity of heavier halides for the water/vapor interface revisited using the Amoeba force field Fulltext Access 5 Pages 2005
Dissociative electron attachment to uracil deuterated at the N1 and N3 positions Fulltext Access 5 Pages 2005
Oxidation products of iminophosphorane and bis-iminophosphorane: An EPR study Fulltext Access 5 Pages 2005
Thermal properties measurements in biodiesel oils using photothermal techniques Fulltext Access 5 Pages 2005
Ab initio non-adiabatic coupling elements: Conical intersections of the C2H2 molecule Fulltext Access 5 Pages 2005
Cathode diffusion and degradation mechanism of polymeric light emitting devices Fulltext Access 5 Pages 2005
Morphology, intermixing, and glass transition of amorphous acetic-acid films studied by temperature-programmed TOF-SIMS and TPD Fulltext Access 5 Pages 2005
Effect of added electrolytes, NaCl and LiCl, on the palisade layer water structure of Triton X-100 micelle: A fluorescence anisotropy study Fulltext Access 5 Pages 2005
The effect of signs of hyperfine coupling constant on MARY spectra affected by degenerate electron exchange Fulltext Access 5 Pages 2005
Absorption and upconversion light emission properties of Er3+ and Yb3+/Er3+ codoped NaYS2 Fulltext Access 5 Pages 2005
Global fit analysis including the ν9 + ν4 â ν4 hot band of CD3CD3 Fulltext Access 5 Pages 2005
Electronic excitations in vanadium oxide phthalocyanine studied via resonant soft X-ray emission and resonant inelastic X-ray scattering Fulltext Access 5 Pages 2005
Accurate multireference calculations of the electronic structure of TiF2 and TiCl2 Fulltext Access 5 Pages 2005
pH Effect on the binding of chlorin derivatives with Cremophor EL, a potential drug delivery vehicle Fulltext Access 5 Pages 2005