Resonance Raman spectroscopy and DFT calculations of the protonation of 4-(2-pyridylazo)-N,N-dimethylaniline in solution and adsorbed on oxide surfaces Fulltext Access 14 Pages 2006
Structure of 3-hydroxy-3-phenyl-pyrido[2,1-c][1,4]dihydrooxazinium bromide studied by X-ray, FTIR, 1H, 13C and 15N NMR, and DFT methods Fulltext Access 14 Pages 2006
The use of H-bonding to increase the dimensionality of coordination networks of Cu(I) and Cu(II) Fulltext Access 14 Pages 2006
High resolution rotation-inversion spectroscopy on doubly deuterated ammonia, ND2H, up to 2.6Â THz Fulltext Access 14 Pages 2006
An investigation of molecular structures of sulfonylcalix[4]arene, mercaptosulfonylcalix[4]arene and aminosulfonylcalix[4]arene, their proton affinities and complexation with zinc(II) Fulltext Access 14 Pages 2006
Electronic structures and ionicity in [60]fullerene/polycyclic aromatic hydrocarbon charge transfer complexes studied by UV–Vis and NMR spectroscopic techniques Fulltext Access 14 Pages 2006
Conformational and structural studies of 1-fluorosilacyclobutane from temperature dependent FT-IR spectra of krypton solutions and ab initio calculations Fulltext Access 14 Pages 2006
Conformational analysis of the potential anticancer agent ethyl trihydroxycinnamate—A combined raman spectroscopy and ab initio study Fulltext Access 14 Pages 2006
Comparative study on the transition metal complexes of a novel thiacalix[4]arene derivative Fulltext Access 14 Pages 2006
Automatic atom type and bond type perception in molecular mechanical calculations Fulltext Access 14 Pages 2006
Comprehensive DFT and MO studies on glyoxilic acid oxime and related ions in gas phase and solution: Conformations, basicities and acidities Fulltext Access 14 Pages 2006
Infrared induced isomerizations of water polymers trapped in nitrogen matrix Fulltext Access 14 Pages 2006
Effects of electric and magnetic fields on fluorescence in electron donor and acceptor pairs of pyrene and N-methylphthalimide doped in a polymer film Fulltext Access 14 Pages 2006
Structural and vibrational characterization of the organic semiconductor tetracene as a function of pressure and temperature Fulltext Access 14 Pages 2006
The transport gap of organic semiconductors studied using the combination of direct and inverse photoemission Fulltext Access 14 Pages 2006
Absorption in regio-regular poly(3-hexyl)thiophene thin films: Fermi resonances, interband coupling and disorder Fulltext Access 14 Pages 2006
Chemical approach to neutral-ionic valence instability, quantum phase transition, and relaxor ferroelectricity in organic charge-transfer complexes Fulltext Access 14 Pages 2006
Colours from electroactive polymers: Electrochromic, electroluminescent and laser devices based on organic materials Fulltext Access 14 Pages 2006
Measurement of surface topography by RGB Shadow-Moiré with direct phase demodulation Fulltext Access 14 Pages 2006
Influence of temperature on wideband water spectra: Semi-phenomenological calculation Fulltext Access 14 Pages 2006
Optimization of an off-axis nozzle for assist gas injection in laser fusion cutting Fulltext Access 14 Pages 2006
Effect of pulsed laser parameters on the corrosion limitation for electric connector coatings Fulltext Access 14 Pages 2006
Polarisation-sensitive optical elements in azobenzene polyesters and peptides Fulltext Access 14 Pages 2006
Thermo-mechanical stresses in copper interconnects – A modeling analysis Fulltext Access 14 Pages 2006
Automatic extraction of structural alerts for predicting chromosome aberrations of organic compounds Fulltext Access 14 Pages 2006
Measurement of elastic moduli using spherical indentation and digital speckle pattern interferometry with automated data processing Fulltext Access 14 Pages 2006
Molecular dynamics of a biophysical model for β2-adrenergic and G protein-coupled receptor activation Fulltext Access 14 Pages 2006
The prediction of the wild-type telomerase RNA pseudoknot structure and the pivotal role of the bulge in its formation Fulltext Access 14 Pages 2006
Study of particle tracking algorithms based on neural networks for stereoscopic tracking velocimetry Fulltext Access 14 Pages 2006
Diagnostics of water-containing gas mixtures using thermal laser-induced gratings Fulltext Access 15 Pages 2006
YAC: A code using the detailed term accounting model for all-Z elements Fulltext Access 15 Pages 2006
Reducing the vibrational coupling network in N-methylacetamide as a model for ab initio infrared spectra computations of peptides Fulltext Access 15 Pages 2006
Radiative absorption in an infinitely long hollow cylinder with Fresnel surfaces Fulltext Access 15 Pages 2006
About the photoionization of methyl bromide (CH3Br). Photoelectron and photoionization mass spectrometric investigation Fulltext Access 15 Pages 2006
Line-by-line calculations of thermal infrared radiation representative for global condition: CFC-12 as an example Fulltext Access 15 Pages 2006
The interstellar gas-phase formation of CO2 - Assisted or not by water molecules? Fulltext Access 15 Pages 2006
Analysis of individual environmental particles using modern methods of electron microscopy and X-ray microanalysis Fulltext Access 15 Pages 2006
Lifetime determination of materials that exhibit a stretched exponential luminescent decay Fulltext Access 15 Pages 2006
Simulation of two-photon absorption spectra of Eu2+:CaF2 by direct calculation Fulltext Access 15 Pages 2006
Multispectrum analysis of 12CH4 from 4100 to 4635Â cmâ1: II. Air-broadening coefficients (widths and shifts) Fulltext Access 15 Pages 2006
The absorption spectrum of phosphine (PH3) between 2.8 and 3.7 μm: Line positions, intensities, and assignments Fulltext Access 15 Pages 2006
CW-cavity ringdown spectroscopy of carbon dioxide isotopologues near 1.5 μm Fulltext Access 15 Pages 2006
Milne's problem for anisotropic scattering medium with specular reflecting boundary Fulltext Access 15 Pages 2006
Dicke-narrowed spectral line shapes of CO in Ar: Experimental results and a revised interpretation Fulltext Access 15 Pages 2006
Computational study of pyrylium cation-water complexes: hydrogen bonds, resonance effects, and aromaticity Fulltext Access 15 Pages 2006
A peculiar discontinuity in the intensity of light reflected by a plane-parallel atmosphere Fulltext Access 15 Pages 2006
Chord length distributions in binary stochastic media in two and three dimensions Fulltext Access 15 Pages 2006
Similarity and diversity in photometric and polarimetric opposition effects of small Solar System bodies Fulltext Access 15 Pages 2006
Molecular structure and vibrational assignment of (trifluoroacetyl) acetone: A density functional study Fulltext Access 15 Pages 2006
Analytic design of an anamorphic optical system for generating anisotropic partially coherent Gaussian Schell-model beams Fulltext Access 15 Pages 2006
Synthesis and properties of transition metals and rare-earth metals doped ZnS nanoparticles Fulltext Access 15 Pages 2006
Hydrogen bonds of 2-aminothiazoles in intermolecular complexes (1:1 and 1:2) with proton acceptors in solutions Fulltext Access 15 Pages 2006
Are 1,5- and 1,7-dihydrodiimidazo[4,5-b:4′,5′-e]pyrazine the main products of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) alkaline hydrolysis? A DFT study of vibrational spectra Fulltext Access 15 Pages 2006
Conformational studies of cyclopropylmethyl isocyanate from temperature dependent FT-IR spectra of xenon solutions and ab initio calculations Fulltext Access 15 Pages 2006
On the structural parameters and vibrational spectra of some XNCS and XSCN (X=H, F, Cl, Br) molecules Fulltext Access 15 Pages 2006
Vibrational analysis and Y-aromaticity in bis (N,N′-diphenyl guanidinium) oxalate crystal: A DFT study Fulltext Access 15 Pages 2006
Normal coordinate analysis and DFT calculations of the vibrational spectra for lanthanide(III) complexes with 3-bromo-4-methoxy-2,6-lutidine N-oxide: LnCl3(3Br4CH3OC7H7NO)3 (Ln=Pr, Nd, Sm, Eu, Gd, Dy) Fulltext Access 15 Pages 2006
Accurate ab initio prediction of propagation rate coefficients in free-radical polymerization: Acrylonitrile and vinyl chloride Fulltext Access 15 Pages 2006
Measurement of transverse vibrations/visualization of mode shapes in square plate by using digital speckle pattern interferometry and wavelet transform Fulltext Access 15 Pages 2006
Laser-induced spark for simultaneous ignition and fuel-to-air ratio measurements Fulltext Access 15 Pages 2006
Characterization of nanometric carbon materials by time-resolved fluorescence polarization anisotropy Fulltext Access 15 Pages 2006
Non-contact and non-destructive testing of silicon V-grooves: A non-medical application of optical coherence tomography (OCT) Fulltext Access 15 Pages 2006
A portable digital speckle pattern interferometry device to measure residual stresses using the hole drilling technique Fulltext Access 15 Pages 2006
Behavior of (1 1 1) grains during the thermal treatment of copper film studied in situ by electron back-scatter diffraction Fulltext Access 15 Pages 2006
Computational study of formamide-water complexes using the SAPT and AIM methods Fulltext Access 15 Pages 2006
Interfacial charge transfer absorption: Application to metal-molecule assemblies Fulltext Access 15 Pages 2006
About the singular behavior of the ionic condensation of sodium chondroitin sulfate: Conductivity study in water and water-dioxane mixture Fulltext Access 15 Pages 2006
Spin-orbit coupling in the double exchange model 2. Comparison of the antisymmetric double exchange with the Dzialoshinsky-Moriya antisymmetric exchange, spin canting and ZFS Fulltext Access 15 Pages 2006
Misleading aspects of the viscosity effect on the heterogeneous electron transfer reactions Fulltext Access 15 Pages 2006
IR photon enhanced dissociative electron attachment to SF6: Dependence on photon, vibrational, and electron energy Fulltext Access 15 Pages 2006
Theoretical study of the geometric and electronic structure of neutral and anionic doped silver clusters, Ag5X0,â with XÂ =Â Sc, Ti, V, Cr, Mn, Fe, Co, and Ni Fulltext Access 15 Pages 2006
Analysis of a thermal imaging method for landmine detection, using infrared heating of the sand surface Fulltext Access 15 Pages 2006
Mn-impurity-conduction-mediated ferromagnetic ordering in Ga1−xMnxAs (x = 0.034 and x = 0.050) Fulltext Access 15 Pages 2006
Effect of temperature rise and hydrostatic pressure on microbending loss and refractive index change in double-coated optical fiber Fulltext Access 15 Pages 2006
Fourier-wavelet regularized deconvolution (ForWaRD) for lidar systems based on TEA–CO2 laser Fulltext Access 15 Pages 2006
Rotation-invariant pattern recognition using morphological phase-only correlation Fulltext Access 15 Pages 2006
CW-pumped polarization-maintaining Brillouin fiber ring laser: I. Self-structuration of Brillouin solitons Fulltext Access 15 Pages 2006
Theoretical force-field model for blue-shifted hydrogen bonds with fluoromethanes Fulltext Access 16 Pages 2006
A study of the photoionisation dynamics of chloromethane and iodomethane Fulltext Access 16 Pages 2006