Visible-light-driven photocatalysis on fluorine-doped TiO2 powders by the creation of surface oxygen vacancies Fulltext Access 6 Pages 2005
On the planarity of the tropolone molecule in the AË1B2 excited state: A time dependent DFT geometry optimisation Fulltext Access 6 Pages 2005
A new and facile route to ultrafine nanowires, superthin flakes and uniform nanodisks of nickel hydroxide Fulltext Access 6 Pages 2005
The hydrogen molecule in strong electrostatic fields: A theoretical vibrational spectroscopy study Fulltext Access 6 Pages 2005
A theoretical investigation of small Si/C clusters by a combination of MM and QM method Fulltext Access 6 Pages 2005
Self-diffusion studies on PEO-PPO-PEO triblock copolymer micelles in SDS micelles and vice versa using cyclic voltammetry Fulltext Access 6 Pages 2005
Intermolecular potential energy surfaces of weakly bound dimers computed from ab initio density functional theory: The right answer for the right reason Fulltext Access 6 Pages 2005
Evidence for entropic effects in the dissociation of cationic sodium fluoride clusters Fulltext Access 6 Pages 2005
Probing wave packet dynamics of B2Î and C2Î states of NO molecule with time- and energy-resolved photoelectron spectra Fulltext Access 6 Pages 2005
Switching of the fluorescence emission of single molecules between the locally excited and charge transfer states Fulltext Access 6 Pages 2005
Reactivity of aluminium dimer with H2: the performance of high level ab initio and density functional methods for prediction of reaction paths Fulltext Access 6 Pages 2005
Investigation on the temperature-dependent growth rate of carbon nanotubes using chemical vapor deposition of ferrocene and acetylene Fulltext Access 6 Pages 2005
Bound orbiting states of benzene-Ar and evidence for reversible intramolecular vibrational energy redistribution within the complex Fulltext Access 6 Pages 2005
Effects of partially quenched orbital angular momentum on the microwave spectrum and magnetic hyperfine splitting in the OH-water complex Fulltext Access 6 Pages 2005
Morphology-controlled synthesis, growth mechanism and optical properties of ZnO nanonails Fulltext Access 6 Pages 2005
Magnetic field-assisted hydrothermal growth of chain-like nanostructure of magnetite Fulltext Access 6 Pages 2005
Static and dynamic studies on cycloheptanol as two-orientational glass-former Fulltext Access 6 Pages 2005
CH3F: the magnetic interactions at the origin of the nuclear spin conversion Fulltext Access 6 Pages 2005
Mechanism and direct dynamics studies for the reaction of monoethylsilane EtSiH3 with atomic O (3P) Fulltext Access 6 Pages 2005
Modified spontaneous emission of europium complex nanoclusters embedded in colloidal silica spheres Fulltext Access 6 Pages 2005
Rate parameters and branching ratios for the multiple-channel reaction of dimethyl sulfide DMS with atomic H Fulltext Access 6 Pages 2005
The pure rotational spectrum of CoO(X4Îi): Identifying the high-spin components Fulltext Access 6 Pages 2005
Mass analyzed threshold ionization spectroscopy of p-methylanisole cation and the substitution effect Fulltext Access 6 Pages 2005
A scaled hypersphere interpolation technique for efficient construction of multidimensional potential energy surfaces Fulltext Access 6 Pages 2005
Laser-induced fluorescence quenching of tagged oligonucleotide probes by gold nanoparticles Fulltext Access 6 Pages 2005
Thermochemistry of reactive nitrogen oxide species and reaction enthalpies for decomposition of ONOOâ and ONOOH Fulltext Access 6 Pages 2005
Ionization energies and electron distributions of one-end open sandwich clusters: Eun(C8H8)n (n = 1-4) Fulltext Access 6 Pages 2005
Observations of the whole bell-shaped energy gap law in the intra-molecular charge separation (CS) from S2 state of directly linked Zn-porphyrin-imide dyads: Examinations of wider range of energy gap (âÎGCS) for the CS rates in normal regions Fulltext Access 6 Pages 2005
Mid-infrared versus far-infrared (THz) relative intensities of room-temperature Bacillus spores Fulltext Access 6 Pages 2005
Singlet-triplet splittings and electron affinities of selected cyanocarbenes, XCCN (XÂ =Â H, F, Cl, C2H, CN): carbenes with a stable excited negative ion state Fulltext Access 6 Pages 2005
Observation of co-existence of 'face-on' and 'edge-on' stacking styles in a porphyrin monolayer Fulltext Access 6 Pages 2005
Jahn-Teller effects and charge transfer in the positively charged triphenylene and coronene Fulltext Access 6 Pages 2005
Electron dynamics in two-dimensions: a hunt for the ground-state polarons Fulltext Access 6 Pages 2005
Theoretical confirmation of the experimental Raman spectra of the lower-order diamondoid molecule: cyclohexamantane (C26H30) Fulltext Access 6 Pages 2005
Surface enrichment of Ag atoms in Au/Ag alloy nanoparticles revealed by surface enhanced Raman scattering spectroscopy Fulltext Access 6 Pages 2005
Silver nanoparticle array structures that produce giant enhancements in electromagnetic fields Fulltext Access 6 Pages 2005
Extreme hypersensitivity observed from 6H15/2 â 6F11/2 transition of Dy3+ in inorganic noncrystalline solids Fulltext Access 6 Pages 2005
Orientation of substituted phthalocyanines on polycrystalline gold: distinguishing between the first layers and thin films Fulltext Access 6 Pages 2005
Time-dependent density functional approach to chemical reactions induced by electronic double excitations Fulltext Access 6 Pages 2005
Observation of all-trans-β-carotene wavepacket motion on the electronic ground and excited dark state using degenerate four-wave mixing (DFWM) and pump-DFWM Fulltext Access 6 Pages 2005
Elimination of D-band in Raman spectra of double-wall carbon nanotubes by oxidation Fulltext Access 6 Pages 2005
Non-experimentally available thermodynamic properties: the two-component system (CH3)CCl3Â +Â CBrCl3 Fulltext Access 6 Pages 2005
Raman, infrared, SERS and DFT calculations of a triazole derivative (akacid) Fulltext Access 6 Pages 2005
Feynman path integral - ab initio study of the isotropic hyperfine coupling constants of the muonium substituted ethyl radical CH2MuCH2 Fulltext Access 6 Pages 2005
Meso- and nano-scale investigation of carbon fibers coated by nano-crystalline diamond Fulltext Access 6 Pages 2005
Selecting weak bonding sites: effect of a methyl group in the acetylene-polyyne interaction Fulltext Access 6 Pages 2005
Investigating the core moiety of banana-shaped liquid crystals using 2H NMR coupled with quantum simulations Fulltext Access 6 Pages 2005
A new approach to the functionalization of single-walled carbon nanotubes with both alkyl and carboxyl groups Fulltext Access 6 Pages 2005
On the structure of hydration shells of alkali metal ions in aqueous solutions Fulltext Access 6 Pages 2005
Electronic states and vibrational frequencies of the triatomic Ga2N, GaN2, and their cations and anions Fulltext Access 6 Pages 2005
Coherent fluorescence resonance energy transfer in symmetrical clusters of fluorescent centers Fulltext Access 6 Pages 2005
Photochemistry of p-toluidine in a low-temperature argon matrix. Infrared spectrum and geometrical structure of 4-methylanilino radical Fulltext Access 6 Pages 2005
Sensitivity enhancement of MQMAS NMR spectra of spin 3/2 nuclei using hyperbolic secant pulses Fulltext Access 6 Pages 2005
The photodetachment dynamics of Cl2- in mono and bichromatic fields: Analysis based on a multistate mean field approach Fulltext Access 6 Pages 2005
Ab initio QM/MM dynamics of anion-water hydrogen bonds in aqueous solution Fulltext Access 6 Pages 2005
Observation of a fifth order optical nonlinearity in 29Â kDa Au@alkanethiol clusters excited in the visible Fulltext Access 6 Pages 2005
ICLAS-VeCSEL and FTS spectroscopies of C2H2 between 9000 and 9500Â cmâ1 Fulltext Access 6 Pages 2005
Observation of electromagnetically induced transparency in two-photon transitions of 39K2 Fulltext Access 6 Pages 2005
Diatomics AB (AÂ =Â Be, Mg; BÂ =Â O, S) and oligomers thereof: A theoretical study Fulltext Access 6 Pages 2005
Ultrafast excited-state intramolecular double proton transfer dynamics of [2,2â²-bipyridyl]-3,3â²-diamine Fulltext Access 6 Pages 2005
Coarse-grained approach to nonequilibrium molecular dynamics: Application to relaxation process of vibrationally excited hydrogen fluoride in aqueous solution Fulltext Access 6 Pages 2005
Finite difference simulation of diffusion behaviors under inter- and intra-molecular multiple-quantum coherences in liquid NMR Fulltext Access 6 Pages 2005
Structure and diffusion behavior of dense carbon dioxide fluid in clay-like slit pores by molecular dynamics simulation Fulltext Access 6 Pages 2005
Integrated quantum mechanical approaches for extended Ï systems: Multicentered QM/QM studies of the cyanogen and diacetylene trimers Fulltext Access 6 Pages 2005
Quantum chemical study of the electronic structure of the 1-methylene-3,5-didehydrobenzene triradical (C7H5) Fulltext Access 6 Pages 2005
Photochemical intracomplex reaction between β-cyclodextrin and anthraquinone-2,6-disulfonic acid disodium salt in water solution Fulltext Access 6 Pages 2005
Mid-infrared polarization spectroscopy of polyatomic molecules: Detection of nascent CO2 and H2O in atmospheric pressure flames Fulltext Access 6 Pages 2005
Comparative DFT study of non-fluorinated and perfluorinated alkyl and alkyl-peroxy radicals Fulltext Access 6 Pages 2005
Why does the uncoupled hindered rotor model work well for the thermodynamics of n-alkanes? Fulltext Access 6 Pages 2005
Studies on the aggregation-induced emission of silole film and crystal by time-resolved fluorescence technique Fulltext Access 6 Pages 2005
Internal noise enhanced detection of hormonal signal through intracellular calcium oscillations Fulltext Access 6 Pages 2005