Data array acquisition and joint processing in local plasma spectroscopy Fulltext Access 11 Pages 2005
Comparison of single and multiple scattering approaches for the simulation of limb-emission observations in the mid-IR Fulltext Access 11 Pages 2005
Accelerated higher order radiative perturbation computation: an application of GDOM Fulltext Access 11 Pages 2005
Optimal experiment design to estimate the radiative properties of materials Fulltext Access 11 Pages 2005
Soot processes in a strongly radiating turbulent flame from laser scattering/extinction experiments Fulltext Access 11 Pages 2005
Characterization of metallic nano-particles via surface wave scattering: B. Physical concept and numerical experiments Fulltext Access 11 Pages 2005
Isotropic scaling limits for one-dimensional radiative heat transfer with collimated incidence Fulltext Access 11 Pages 2005
On the solution of time-dependent transport equation with time-varying cross sections Fulltext Access 11 Pages 2005
A new procedure for obtaining the Voigt function dependent upon the complex error function Fulltext Access 11 Pages 2005
Calculation techniques with the Monte Carlo method in stray radiation evaluation Fulltext Access 11 Pages 2005
Computer-assisted infrared spectra interpretation for amorphous silicon alloys Fulltext Access 11 Pages 2005
Pressure-broadened line widths and pressure-induced line shifts coefficients of the (1-0) and (2-0) bands of 12C16O Fulltext Access 11 Pages 2005
Heteronuclear decoupling interference during symmetry-based homonuclear recoupling in solid-state NMR Fulltext Access 11 Pages 2005
Correction of concomitant gradient artifacts in experimental microtesla MRI Fulltext Access 11 Pages 2005
Photo-CIDNP experiments with an optimized presaturation pulse train, gated continuous illumination, and a background-nulling pulse grid Fulltext Access 11 Pages 2005
A study of the spin-echo spin-locking effect in multi-pulse sequences in 14N nuclear quadrupole resonance Fulltext Access 11 Pages 2005
Temperature dependence of protein backbone motion from carbonyl 13C and amide 15N NMR relaxation Fulltext Access 11 Pages 2005
Structure determination of aligned systems by solid-state NMR magic angle spinning methods Fulltext Access 11 Pages 2005
Four complementary theoretical approaches for the analysis of NMR paramagnetic relaxation Fulltext Access 11 Pages 2005
Increasing the sensitivity of 2D high-resolution NMR methods applied to quadrupolar nuclei Fulltext Access 11 Pages 2005
The influence of halide anions on the molecular structure of bis(N-methylpiperidine betaine) monocation with short hydrogen bond Fulltext Access 11 Pages 2005
Determination of adsorption and speciation of chromium species by saltbush (Atriplex canescens) biomass using a combination of XAS and ICP-OES Fulltext Access 11 Pages 2005
NMR, FT-IR, ESI MS and PM5 semiempirical study of new lasalocid 5-hydroxy-3-oxapentyl ester and its complexes with monovalent cations Fulltext Access 11 Pages 2005
The 1H, 13C, 15N and 117Sn NMR study of the intramolecular Sn-N interaction in tri- and tetraorganotin compounds containing the chiral 2-(4-isopropyl-2-oxazolinyl)-5-phenyl ligand Fulltext Access 11 Pages 2005
Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Fulltext Access 11 Pages 2005
Adsorption of 6-mercaptopurine and 6-mercaptopurine riboside on silver colloid: a pH dependent surface enhanced Raman spectroscopy and density functional theory study. Part I. 6-Mercaptopurine Fulltext Access 11 Pages 2005
Observation of various conformers of 4-cyano-4â²-alkylbiphenyl by IR spectroscopy and density functional theory calculations Fulltext Access 11 Pages 2005
Spectral characteristics of 2-hydroxynicotinic acid: effects of solvent and acid or base concentrations Fulltext Access 11 Pages 2005
Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water Fulltext Access 11 Pages 2005
Analytical calculation of far infrared spectra of ice in terms of a molecular model Fulltext Access 11 Pages 2005
Formation of a 6FDA-based ring polyimide with nanoscale cavity evaluated by DFT calculations Fulltext Access 11 Pages 2005
The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)] Fulltext Access 11 Pages 2005
Alignment of molecules in Langmuir and Langmuir-Blodgett films of binary mixtures of 3,4,9,10-tetra-(n-alkoxy-carbonyl)-perylenes with a liquid crystal Fulltext Access 11 Pages 2005
Increasing 14N NQR signal by 1H-14N level crossing with small magnetic fields Fulltext Access 11 Pages 2005
Synthesis and characterisation of new ditetrazole-ligands as more rigid building blocks of envisaged iron(II) spin-crossover coordination polymers Fulltext Access 11 Pages 2005
Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in 3-pyridinealdoxime and 4-pyridinealdoxime crystals: H/D isotopic self-organization effects in the IR spectra Fulltext Access 11 Pages 2005
Ab initio investigations of some molecular complexes containing hydrogen cyanide: hydrogen-bonded or donor-acceptor? Fulltext Access 11 Pages 2005
Triple helix-tetraplex equilibrium for G-rich oligonucleotide N3â²âP5â² phosphoramidates: role of molecular concentration and counterions Fulltext Access 11 Pages 2005
High-pressure studies on fluorine substituted 2,5-di(phenyl)-1,3,4-oxadiazoles Fulltext Access 11 Pages 2005
A structural investigation on the flexibility of certain o-phthalic acid derivatives Fulltext Access 11 Pages 2005
Studies on adducts of rhodium(II) tetraacetate and rhodium(II) tetratrifluoroacetate with some amines in CDCl3 solution using 1H, 13C and 15N NMR Fulltext Access 11 Pages 2005
Synthesis, structure and characterisation of two 2,4-diamino-6-R-1,3,5-triazine derivatives (R=3-cyanophenyl and 4-cyanophenyl) Fulltext Access 11 Pages 2005
Semiempirical ZINDO/S, AM1 and ab initio HF/STO-3G and HF/6-31G study of quaternary salts of diazaphenanthrenes with ethyl bromide and 1,3-dibromopropane Fulltext Access 11 Pages 2005
DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine monohydrate Fulltext Access 11 Pages 2005
Relativistic calculations of electron-impact ionization for highly charged hydrogen-like ions Fulltext Access 11 Pages 2005
State-to-state reaction rates in gases with vibration-electronic-dissociation coupling: the influence on a radiative shock heated CO flow Fulltext Access 11 Pages 2005
NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids Fulltext Access 11 Pages 2005
Diatomics-in-molecules study of the photoabsorption spectra of Xen+ clusters Fulltext Access 11 Pages 2005
An ab initio LAPW study of the α and β phases of bulk molybdenum trioxide, MoO3 Fulltext Access 11 Pages 2005
An equation of state for gaseous argon determined from the speed of sound Fulltext Access 11 Pages 2005
The FT-IR spectra of glycine and glycylglycine zwitterions isolated in alkali halide matrices Fulltext Access 11 Pages 2005
Ab initio direct dynamics studies on the reactions of chlorine atom with CH3 â nClnCHO (n = 1-3) Fulltext Access 11 Pages 2005
Isotope effects on the hydrodynamic fluctuations of self-associating fluids. A comparison between the Brillouin scattering of 1-octanol and its hydrocarbon chain perdeuterated analogue Fulltext Access 11 Pages 2005
Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier Fulltext Access 11 Pages 2005
Inhomogeneous electrochemiluminescence. I: Integral encounter theory of kinetics and yield Fulltext Access 11 Pages 2005
On the single-root approach within the framework of coupled-cluster theory in Fock space Fulltext Access 11 Pages 2005
LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides Fulltext Access 11 Pages 2005
Primary charge separation between P* and BA: Electron-transfer pathways in native and mutant GM203L bacterial reaction centers Fulltext Access 11 Pages 2005
Adiabatic and non-adiabatic models for dissociative adsorption kinetics of diatomic molecules X2 on solid surface Fulltext Access 11 Pages 2005
The modification of glassy carbon and gold electrodes with aryl diazonium salt: The impact of the electrode materials on the rate of heterogeneous electron transfer Fulltext Access 11 Pages 2005
Contrasting electroabsorbance behavior of two borderline class II/class III mixed-valence systems Fulltext Access 11 Pages 2005
Solid state 31P and 207Pb MAS NMR studies on polycrystalline O,Oâ²-dialkyldithiophosphate lead(II) complexes Fulltext Access 11 Pages 2005
Judd-Ofelt analysis of spectroscopic properties of Nd3+-doped novel fluorophosphate glass Fulltext Access 11 Pages 2005
Two-dimensional Penning ionization electron spectroscopic study on outer characteristics of molecules Fulltext Access 11 Pages 2005
Soft X-ray spectromicroscopy of biological and synthetic polymer systems Fulltext Access 11 Pages 2005
Analysis of the Auger-photoelectron coincidence spectroscopy (APECS) spectra of metallic Pd, Ag, and Sn Fulltext Access 11 Pages 2005
An hybrid organic-inorganic approach to erbium-functionalized nanodots for emission in the telecom window Fulltext Access 11 Pages 2005
Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering Fulltext Access 11 Pages 2005
Absorption spectrum and crystal-field analysis of U4+ ions in CsCdBr3 single crystals Fulltext Access 11 Pages 2005
Electronic and optical properties of functionalized carbon chains with the localized Hartree-Fock and conventional Kohn-Sham methods Fulltext Access 11 Pages 2005
Impurity and vacancy clustering at the Σ3(1 1 1)[1 â1 0] grain boundary in strontium titanate Fulltext Access 11 Pages 2005
A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3Eâ²) Fulltext Access 11 Pages 2005
HCN2+ dication spectroscopy: theoretical and experimental investigations Fulltext Access 11 Pages 2005
Toward a variational treatment of the magnetic coupling between centers with elevated spin moments Fulltext Access 11 Pages 2005
Molecular structure and spectroscopic properties of 4-nitrocatechol at different pH: UV-visible, Raman, DFT and TD-DFT calculations Fulltext Access 11 Pages 2005
Hydrogen bond mediated magnetism in [CuII(en)2(H2O)][CuII(en)2Ni2Cu2I(CN)10]·2H2O Fulltext Access 11 Pages 2005
Quantum chemical and conventional TST calculations of rate constants for the OHÂ +Â alkane reaction Fulltext Access 11 Pages 2005