Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene Fulltext Access 6 Pages 2005
Degradation of La0.8Ca0.2MnO3 single crystal surface: Electron spectroscopy studies Fulltext Access 6 Pages 2005
Valence band electronic structure of V2O5 as determined by resonant soft X-ray emission spectroscopy Fulltext Access 6 Pages 2005
Observation of the domain structure of Nd-Fe-B magnets using the SEM type-I magnetic contrast Fulltext Access 6 Pages 2005
Decay of core excitations in bulk h-BN studied with resonant Auger spectroscopy Fulltext Access 6 Pages 2005
Competition between relaxation and decay of a resonantly excited core-hole state Fulltext Access 6 Pages 2005
Velocity imaging spectrometer for negative fragment ions: application to dynamics of O2 and N2O ion-pair dissociation 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
High energy-resolution electron energy-loss spectroscopy study of the electronic structure of C60 polymer crystals 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
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
Bayesian estimation of Karplus parameters and torsion angles from three-bond scalar couplings constants Fulltext Access 6 Pages 2005
Correspondence between spin-dynamic phases and pulse program phases of NMR spectrometers Fulltext Access 6 Pages 2005
A modified PGSE for measuring diffusion in the presence of static magnetic field gradients Fulltext Access 6 Pages 2005
15N and 31P solid-state NMR study of transmembrane domain alignment of M2 protein of influenza A virus in hydrated cylindrical lipid bilayers confined to anodic aluminum oxide nanopores Fulltext Access 6 Pages 2005
SPINAL modulated decoupling in high field double- and triple-resonance solid-state NMR experiments on stationary samples Fulltext Access 6 Pages 2005
Methylene spectral editing in solid-state 13C NMR by three-spin coherence selection Fulltext Access 6 Pages 2005
How to reduce the experimental time in isotopic 2H NMR using the ERETIC method Fulltext Access 6 Pages 2005
Orientation of single crystals using linear approximations to NMR transits Fulltext Access 6 Pages 2005
Measurements and modeling of long range 3He diffusion in the lung using a “slice-washout” method Fulltext Access 6 Pages 2005
1H-13C polarization transfer in membranes: A tool for probing lipid dynamics and the effect of cholesterol 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
Retrieval of transverse relaxation time distribution from spin-echo data by recurrent neural network Fulltext Access 6 Pages 2005
A comparative X-ray absorption near-edge structure study of bornite, Cu5FeS4, and chalcopyrite, CuFeS2 Fulltext Access 6 Pages 2005
Characterisation of tryptic peptides of phosphorylated tyrosine hydroxylase by high-pressure liquid chromatography electrospray ionisation mass spectrometry Fulltext Access 6 Pages 2005
Spectroscopic identification and imaging of surface processes occurring at microscopic and mesoscopic scales Fulltext Access 6 Pages 2005
Theoretical study of the insertion reaction of CH3O-H by singlet alkylidenecarbenes 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
Reaction of aromatic amines with Cu(ClO4)2 in acetonitrile as a facile route to amine radical cation generation 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
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
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
On the control of resonant versus non-resonant electronic transitions in molecular photodissociation Fulltext Access 6 Pages 2005
The intermolecular potential of O2-O2 in its quintet state: An ab initio study 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
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
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
Tuning the photoelectrochemistry of nanoporous anatase electrodes by modification with gold nanoparticles: Development of cathodic photocurrents 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