Multidimensional vibrational quantum dynamics of CO-heme compounds: ultrafast IVR mediated Fe-CO bond-breaking after CO excitation? Fulltext Access 6 Pages 2005
Threshold ionization mass spectrometry study of hydrogenated amorphous carbon films growth precursors Fulltext Access 6 Pages 2005
Novel aromatic N-oxyl radical based on the benzo[g]quinoline skeleton: synthesis and intermolecular ferromagnetic interaction Fulltext Access 6 Pages 2005
Effect of protonation on the photophysical properties of meso-tetra(sulfonatophenyl) porphyrin Fulltext Access 6 Pages 2005
Mass spectrometric study on the neutral nanocluster [Cd32Se14(SePh)36L4] (LÂ =Â THF, OPPh3) upon charged ligand exchange Fulltext Access 6 Pages 2005
Magnetic exchange of trinuclear spin frustration system: CASPT2 and density functional theory study on hydroxo-bridged chromium complex [Cr3(NH3)10(OH)4] · Br5 Fulltext Access 6 Pages 2005
Study of interaction of a cationic protein with a cationic surfactant using solvation dynamics Fulltext Access 6 Pages 2005
Selective functionalization of the Si(100) surface by a bifunctional alkynilamine molecule: A density functional study of the switching adsorption linkage Fulltext Access 6 Pages 2005
Substituent effects on the reduction of 2-OMe, 2-SMe and 2-SeMe cyclohexanones by LiAlH4: An investigation of conformational equilibrium and transition states Fulltext Access 6 Pages 2005
The preparation of nitrogen-doped photocatalyst TiO2 â xNx by ball milling Fulltext Access 6 Pages 2005
Influence of molecular conformation on organic/metal interface energetics Fulltext Access 6 Pages 2005
Spectroscopy of the R-system (1Â 8Â 0) group band of CS2 achieved by Î-type excitation Fulltext Access 6 Pages 2005
Molecular orientation of F16ZnPc deposited on Au and Mg substrates studied by NEXAFS and IRRAS Fulltext Access 6 Pages 2005
Vibrational anharmonicity of acetic acid studied by matrix-isolation near-infrared spectroscopy and DFT calculation Fulltext Access 6 Pages 2005
N-doped double-walled carbon nanotubes synthesized by chemical vapor deposition Fulltext Access 6 Pages 2005
AMBER-based hybrid force field for conformational sampling of polypeptides Fulltext Access 6 Pages 2005
A semi-phenomenological approach to the transport and diffusion of small spherical macromolecules in solution Fulltext Access 6 Pages 2005
Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene Fulltext Access 6 Pages 2005
Molecular dynamics simulation of lithium iodide in liquid dimethylsulfoxide Fulltext Access 6 Pages 2005
Examining the transition metal hydrosulfides: the pure rotational spectrum of CuSH (XË1Aâ²) Fulltext Access 6 Pages 2005
Computational methods for protein design and protein sequence variability: biased Monte Carlo and replica exchange Fulltext Access 6 Pages 2005
OD ESR detection of the radical anions of cyclic nitrones in liquid solutions Fulltext Access 6 Pages 2005
Homology models of main proteinase from coronavirus associated with SARS Fulltext Access 6 Pages 2005
Reaction of aromatic amines with Cu(ClO4)2 in acetonitrile as a facile route to amine radical cation generation Fulltext Access 6 Pages 2005
Validation of a computational scheme to study 15N and 13C nuclear shielding constants Fulltext Access 6 Pages 2005
Monte Carlo simulations of flexible molecules in a static electric field: electric dipole and conformation Fulltext Access 6 Pages 2005
Dramatic reduction of the RF power for attenuation of sample heating in 2D-separated local field solid-state NMR spectroscopy Fulltext Access 6 Pages 2005
Gas phase infrared spectroscopic observation of the organic acid dimers (CH3(CH2)6COOH)2, (CH3(CH2)7COOH)2, and (CH3(CH2)8COOH)2 Fulltext Access 6 Pages 2005
Time resolved photoluminescence anisotropy of CdSe/ZnS nanoparticles in toluene at 300 K Fulltext Access 6 Pages 2005
Remarkable temperature dependence of electric field-induced change in fluorescence spectra of pyrene doped in a polymer matrix Fulltext Access 6 Pages 2005
A comparison of through-space and through-bond coupling for tunneling in alkane chains Fulltext Access 6 Pages 2005
Recording the intramolecular deformation of a 4-legs molecule during its STM manipulation on a Cu(2Â 1Â 1) surface Fulltext Access 6 Pages 2005
Carbon nanotube growth from titanium-cobalt bimetallic particles as a catalyst Fulltext Access 6 Pages 2005
Imaging wavepacket interferences using Auger resonant Raman spectroscopy Fulltext Access 6 Pages 2005
Franck-Condon simulation of the photoelectron spectrum of SO2- including Duschinsky effects Fulltext Access 6 Pages 2005
Theoretical study on the reaction of the 2Î ground state of TiS+ with COS in the gas phase Fulltext Access 6 Pages 2005
Electron photogeneration in a triblock co-polymer discotic liquid crystal Fulltext Access 6 Pages 2005
Interaction cetyltrimethylammonium bromide-DNA investigated by dielectric spectroscopy Fulltext Access 6 Pages 2005
Polydispersity of the photoluminescence quantum yield in single conjugated polymer chains Fulltext Access 6 Pages 2005
Hydrogen adsorption on Ru(0Â 0Â 1) surface from density-functional periodic calculations Fulltext Access 6 Pages 2005
Mathematical functions for the analysis of luminescence decays with underlying distributions: 2. Becquerel (compressed hyperbola) and related decay functions Fulltext Access 6 Pages 2005
Intramolecular proton or hydrogen-atom transfer in the ground- and excited-states of 2-hydroxybenzophenone: A theoretical study Fulltext Access 6 Pages 2005
Probing vibrational excitations in molecular crystals by inelastic scattering: From neutrons to X-rays Fulltext Access 6 Pages 2005
Calculated vibrational and electronic properties of various sodium thiogermanate glasses Fulltext Access 6 Pages 2005
Study of thermal effusivity variations in water solutions of polyethylene glycol 200 using photoacoustic method Fulltext Access 6 Pages 2005
On the control of resonant versus non-resonant electronic transitions in molecular photodissociation Fulltext Access 6 Pages 2005
Novel multi-branched organic compounds with enhanced two-photon absorption benefiting from the strong electronic coupling Fulltext Access 6 Pages 2005
Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory Fulltext Access 6 Pages 2005
A new fullerene C60-didodecyloxy benzene dyad: An evidence for ground state electron transfer Fulltext Access 6 Pages 2005
Theoretical study of the insertion reaction of CH3O-H by singlet alkylidenecarbenes Fulltext Access 6 Pages 2005
Molecular dynamics study of photochromic molecules probed by the mask pattern transferred transient grating technique Fulltext Access 6 Pages 2005
Efficient calculation of coupled Kohn-Sham dynamic susceptibility functions and dispersion energies with density fitting Fulltext Access 6 Pages 2005
Remarkable effect of base pairing on the geometry of guanine under electronic excitation: A theoretical investigation Fulltext Access 6 Pages 2005
Evidence for the formation of radical anion in the reductive cleavage of carbon-bromine bond in 4â²-bromomethylbiphenyl-2-carbonitrile Fulltext Access 6 Pages 2005
Ion conducting behaviour of polymer electrolytes containing ionic liquids Fulltext Access 6 Pages 2005
Does the Co+-assisted decarbonylation of acetaldehyde occur via C-C or C-H activation? A theoretical investigation using density functional theory Fulltext Access 6 Pages 2005
Towards nanoprobes for conduction in molecular crystals: Dibenzoterrylene in anthracene crystals Fulltext Access 6 Pages 2005
The intermolecular potential of O2-O2 in its quintet state: An ab initio study Fulltext Access 6 Pages 2005
Tuning the photoelectrochemistry of nanoporous anatase electrodes by modification with gold nanoparticles: Development of cathodic photocurrents Fulltext Access 6 Pages 2005
Velocity map ion imaging of H atoms from the dissociation of HCO (Aâ¼2Aâ³) using Doppler-free multi-photon ionization Fulltext Access 6 Pages 2005
Distortion effects of the initial electronic states on tunneling photo-ionization of hydrogen atom Fulltext Access 6 Pages 2005
Time-domain calculations of the polarized Raman and two-dimensional infrared spectra of liquid N,N-dimethylformamide Fulltext Access 6 Pages 2005
Solvation of α-hydroxydiphenylmethyl radical in room temperature ionic liquids studied by transient FT-EPR spectroscopy Fulltext Access 6 Pages 2005
Effects of the electrolytes in a closed unstirred Belousov-Zhabotinsky medium Fulltext Access 6 Pages 2005
Circularly light-induced electrogyration in the arylethynyl derivatives incorporated within the oligoetheracrylate photopolymer matrices Fulltext Access 6 Pages 2005