Stability of a new class of unnatural hydrogen-bonded molecular duplexes: A computational study Fulltext Access 5 Pages 2005
Energy of the quasi-free electron in supercritical argon near the critical point Fulltext Access 5 Pages 2005
Preparation and optical properties of Eu(III) complexes J-aggregate formed on the surface of silver nanoparticles Fulltext Access 5 Pages 2005
Rate constants of the O(1D) reactions with N2, O2, N2O, and H2O at 295Â K Fulltext Access 5 Pages 2005
Perturbative simulation of ultrafast four-wave mixing in electron-transfer systems Fulltext Access 5 Pages 2005
Kinetics of the gas-phase reaction of CF2CF-CFCF2 with O3 and NO3 radicals Fulltext Access 5 Pages 2005
Synthesis of rectangular cross-section AlN nanofibers by chemical vapor deposition Fulltext Access 5 Pages 2005
Theoretical study on the dissociation energies, ionization potentials and electron affinities of three perfluoroalkyl iodides Fulltext Access 5 Pages 2005
Short-range repulsion in the D10+(1Σ+)-state potential of the CdRG (RG = Ar, Kr) molecules determined from a direct continuum â bound excitation detected at the D10+ â X10+(1Σ+) transition Fulltext Access 5 Pages 2005
Trigonometric mapping for the electric field strength in molecular optimal control theory Fulltext Access 5 Pages 2005
Energy relaxation paths in matrix-isolated excited molecules: Comparison of porphycene with dibenzoporphycenes Fulltext Access 5 Pages 2005
A new class of atomic basis functions for accurate electronic structure calculations of molecules Fulltext Access 5 Pages 2005
Reactive dynamics in confined water droplets: Auramine O in AOT/water/heptane microemulsions Fulltext Access 5 Pages 2005
The host-guest inclusion complex of p-chlorophenol inside α-cyclodextrin: An atoms in molecules study Fulltext Access 5 Pages 2005
Behavior of phenol (phenol-d5) on NaX zeolite as studied by 1H NMR and FT-IR techniques Fulltext Access 5 Pages 2005
The influence of coupling on internal stochastic resonance in neural system Fulltext Access 5 Pages 2005
Looking for structural phase transitions in the colossal magnetoresistive thiospinel FeCr2S4 by a multi-temperature single-crystal X-ray diffraction study Fulltext Access 5 Pages 2005
Mass analyzed threshold ionization spectroscopy of p-cyanophenol cation and the CN substitution effect Fulltext Access 5 Pages 2005
Effect of central metal on intra-molecular exciplex of porphyrin-fullerene double linked dyad Fulltext Access 5 Pages 2005
Insights into the interplay between electronic structure and protein dynamics: The case of ubiquitin Fulltext Access 5 Pages 2005
Mycobacterial formulation in liposomes showed decreased expression of CD95/CD95L and caspase activity in T cells of leprosy patients Fulltext Access 5 Pages 2005
Simultaneous co-immobilization of enzyme and a redox mediator in polypyrrole film for the fabrication of an amperometric phenol biosensor 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
Cubic or monoclinic Y2O3:Eu3+ nanoparticles by one step flame spray pyrolysis Fulltext Access 5 Pages 2005
Second-order nonlinear optical activity vs. chromophore content in simple organic glass/PMMA system 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
Large-scale synthesis of single-crystal CdSe nanowires through a cation-exchange route Fulltext Access 5 Pages 2005
Generation of carotenoid radical cation in the vicinity of a chlorophyll derivative bound to titanium oxide, upon excitation of the chlorophyll derivative to the Qy state, as identified by time-resolved absorption spectroscopy Fulltext Access 5 Pages 2005
High pressure photoinduced polymerization of the orthorhombic polymeric phase of C60 Fulltext Access 5 Pages 2005
Organic solvent dependence of plasma resonance of gold nanorods: A simple relationship Fulltext Access 5 Pages 2005
Three-dimensional ab initio simulation of laser-induced desorption of NO from NiO(1Â 0Â 0) Fulltext Access 5 Pages 2005
Searching for the vibrational signatures of the Zn-Zn stretching mode in decamethyldizincocene (Zn2(η5-Cp*)2): The first organometallic compound with a metallic homonuclear Zn-Zn bond Fulltext Access 5 Pages 2005
Copper-phthalocyanine encapsulated into zeolite-Y with high Si/Al: An EPR study Fulltext Access 5 Pages 2005
Time-resolved resonance Raman scattering of the excited singlet state of 2-(2â²-hydroxyphenyl)benzoxazole after excited state intramolecular proton transfer Fulltext Access 5 Pages 2005
Study on the synthesis of Ni doped mesoporous TiO2 and its photocatalytic activity for hydrogen evolution in aqueous methanol solution Fulltext Access 5 Pages 2005
Time dependent DFT study of the electronic transition energies of RuO4 and OsO4 Fulltext Access 5 Pages 2005
Density matrix for non-Markovian dissipative dynamics: A numerical method Fulltext Access 5 Pages 2005
Vibrational spectra of difluorosilane from a hybrid ab initio and DFT quartic force field Fulltext Access 5 Pages 2005
Concentration sensing based on radiative rate enhancement from a single microcavity Fulltext Access 5 Pages 2005
Counting statistics of single molecule reaction events and reaction dynamics of a single molecule Fulltext Access 5 Pages 2005
Field emission from hafnium oxynitride films prepared by ion beam-assisted deposition Fulltext Access 5 Pages 2005
Ion bombardment induced interface broadening in Co/Cu system as a function of layer thickness Fulltext Access 5 Pages 2005
Absolute luminescence efficiency and photonic band-gap effect of conjugated polymers with top-deposited distributed Bragg reflectors Fulltext Access 5 Pages 2005
Quick formation of single-crystal nanocubes of silver through dual functions of hydrogen gas in polyol synthesis Fulltext Access 5 Pages 2005
Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution Fulltext Access 5 Pages 2005
Defects and domain structures in SBA-16 mesoporous films with 3D cubic structure Fulltext Access 5 Pages 2005
Complex-assisted one-step synthesis of ion-exchangeable titanate nanotubes decorated with CdS nanoparticles Fulltext Access 5 Pages 2005
Experimental approach to the anion problem in DFT calculation of the partial charge transfer during adsorption at electrochemical interfaces Fulltext Access 5 Pages 2005
Non-activated pathway in angle-resolved study of H2 molecules produced in the abstraction reaction of incident H atoms on hydrogenated Si(1Â 0Â 0) Fulltext Access 5 Pages 2005
Are resonance-assisted hydrogen bonds 'resonance assisted'? A theoretical NMR study Fulltext Access 5 Pages 2005
Second-harmonic generation and theoretical studies of protonation at the water/α-TiO2 (1 1 0) interface Fulltext Access 5 Pages 2005
Electronic structure properties of carbon nanotubes obtained by density functional calculations Fulltext Access 5 Pages 2005
Characterization and nonlinear optical property of a multi-walled carbon nanotube/silica xerogel composite Fulltext Access 5 Pages 2005
Electrical and reliability characteristics of HfO2 gate dielectric treated in N2 and NH3 plasma atmosphere Fulltext Access 5 Pages 2005
Completely renormalized EOMCCSD(T) method employing independent optimization of the cluster product terms Fulltext Access 5 Pages 2005
NC4NC2: A new isomer of dicyanodiacetylene isolated in a cryogenic matrix Fulltext Access 5 Pages 2005
Solvation of 2,2â²-bithiophene: Influence of the first solvation shell in the properties of Ï-conjugated systems Fulltext Access 5 Pages 2005
A model for combined electron and proton transfer in electrochemical systems Fulltext Access 5 Pages 2005
Optical two-dimensional Fourier transform spectroscopy of semiconductors Fulltext Access 5 Pages 2005
Transition-moment directions of selected carbocyanines from emission anisotropy and linear dichroism measurements in uniaxially stretched polymer films Fulltext Access 5 Pages 2005
Ab initio prediction of extremely large first hyperpolarizability of polyphosphaacetylene and polyphosphasilyne Fulltext Access 5 Pages 2005
Electronic structures and transportation properties of sub-60Â nm long single-walled carbon nanotubes Fulltext Access 5 Pages 2005