Structural influence on the solid state intermolecular hydrogen bonding of substituted thioureas Fulltext Access 14 Pages 2005
Measuring heteronuclear dipolar couplings for I=1/2, S>1/2 spin pairs by REDOR and REAPDOR NMR Fulltext Access 14 Pages 2005
High spatial resolution studies of surfaces and small particles using electron beam techniques Fulltext Access 14 Pages 2005
Two-color photoionization and photoelectron studies by combining infrared and vacuum ultraviolet Fulltext Access 14 Pages 2005
Orientation and alignment generated from photoionization of closed-shell cations Fulltext Access 14 Pages 2005
Vibrational assignment and structure of 3-(4-methoxyphenyl)pentane-2,4-dione Fulltext Access 14 Pages 2005
Investigation of europium(III) and gadolinium(III) complexes with naphthoyltrifluoroacetone and bidentate heterocyclic amines Fulltext Access 14 Pages 2005
Analysis of the spatial structure of rigid polyphenylene dendrimers by small-angle neutron scattering Fulltext Access 14 Pages 2005
Theory of the near K-edge structure in electron energy loss spectroscopy Fulltext Access 14 Pages 2005
Theoretical study on N2+, P2+, As2+, NP+, NAs+, and PAs+: Hyperfine coupling constants for 12Σ(g)+, and electron-spin g-factors for 12Σg+/1,22Σu+(X2+) and 1,22Σ+ (XY+) states Fulltext Access 14 Pages 2005
The solution structure of some cobalamins determined by NMR-restrained molecular modelling Fulltext Access 14 Pages 2005
Steric compression and twist in o-hydroxy acyl aromatics with intramolecular hydrogen bonding Fulltext Access 14 Pages 2005
Structures of pyrido[1,2a]pyrazinium and pyrido[1,2c][1,4]oxazinium bromides studied by 1H, 13C and 15N NMR, FTIR, X-ray and DFT methods Fulltext Access 14 Pages 2005
Minerals from Macedonia XIII: Vibrational spectra of some commonly appearing nesosilicate minerals Fulltext Access 14 Pages 2005
Experimental implementation of local adiabatic evolution algorithms by an NMR quantum information processor Fulltext Access 14 Pages 2005
Infrared spectrum and ab initio calculations of matrix isolated methanesulfonic acid species and its 1:1 water complex Fulltext Access 14 Pages 2005
Spin-echo MRS in humans at high field: LASER localisation using FOCI pulses Fulltext Access 14 Pages 2005
60-GHz oxygen band: precise broadening and central frequencies of fine-structure lines, absolute absorption profile at atmospheric pressure, and revision of mixing coefficients Fulltext Access 14 Pages 2005
Modeling temperature dependent kinetic isotope effects for hydrogen transfer in a series of soybean lipoxygenase mutants: The effect of anharmonicity upon transfer distance Fulltext Access 14 Pages 2005
Continuum electrostatics of proteins: Experimental test with model solvents and the method of the proteins pK calculations Fulltext Access 14 Pages 2005
Computational study of calix[4]arene derivatives and complexation with Zn2+ Fulltext Access 14 Pages 2005
Combination of small angle neutron scattering data and mesoscopic simulation techniques as a tool for the structural characterization and prediction of properties of bi-phasic media Fulltext Access 14 Pages 2005
The vacuum UV photoabsorption spectrum of methyl bromide (CH3Br) and its perdeuterated isotopomer CD3Br: a Rydberg series analysis Fulltext Access 14 Pages 2005
Femtosecond fluorescence up-conversion spectroscopy of adenine and adenosine: experimental evidence for the ÏÏ* state? Fulltext Access 14 Pages 2005
Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline Fulltext Access 14 Pages 2005
Non-planarity and solvent effects on structural and polarizability properties of cytosine tautomers Fulltext Access 14 Pages 2005
Exploring and modelling the responses of electrospray and atmospheric pressure chemical ionization techniques based on molecular descriptors Fulltext Access 15 Pages 2005
Discrete-ordinates solution for uncoupled multi-wavelength radiative transfer problems Fulltext Access 15 Pages 2005
Finite element method for the two-dimensional atmospheric radiative transfer Fulltext Access 15 Pages 2005
Experimental study and calculations of nitric oxide absorption in the γ(0,0) and γ(1,0) bands for strong temperature conditions Fulltext Access 15 Pages 2005
Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks Fulltext Access 15 Pages 2005
Split-plot design for mixture experiments with process variables: A comparison of design strategies Fulltext Access 15 Pages 2005
Experimental and computational study of the gas-phase interactions between lead(II) ions and two pyrimidic nucleobases: Uracil and thymine Fulltext Access 15 Pages 2005
An experimental and computational study of the ions formed by the reaction of cyclopentanone with Oâ Fulltext Access 15 Pages 2005
Pathways of Peptide Ion Fragmentation Induced by Vacuum Ultraviolet Light Fulltext Access 15 Pages 2005
Non-parametric linear regression of discrete Fourier transform convoluted chromatographic peak responses in non-ideal conditions Fulltext Access 15 Pages 2005
Identification of dominant odor chemicals emanating from explosives for use in developing optimal training aid combinations and mimics for canine detection Fulltext Access 15 Pages 2005
Comparative study for separation of aquatic humic-type organic constituents by DAX-8, PVP and DEAE sorbing solids and tangential ultrafiltration: elemental composition, size-exclusion chromatography, UV-vis and FT-IR Fulltext Access 15 Pages 2005
Number of species in complexation equilibria of SNAZOXS or Naphtylazoxine 6S and Cd2+, Co2+, Cu2+, Ni2+, Pb2+ and Zn2+ ions by PCA of UV-vis spectra Fulltext Access 15 Pages 2005
Source term identification of environmental radioactive Pu/U particles by their characterization with non-destructive spectrochemical analytical techniques Fulltext Access 15 Pages 2005
A detailed study of the microwave pyrolysis of the Moroccan (Youssoufia) rock phosphate Fulltext Access 15 Pages 2005
Conformational stability from variable temperature infrared spectra of krypton and xenon solutions, ab initio calculations, vibrational assignment and r0 structural parameters of vinylcyclopropane Fulltext Access 15 Pages 2005
Formation of [b(nâ1) + OH + H]+ Ion Structural Analogs by Solution-Phase Chemistry Fulltext Access 15 Pages 2005
Ion Excitation in a Linear Quadrupole Ion Trap with an Added Octopole Field Fulltext Access 15 Pages 2005
Correlation ranking procedure for factor selection in PC-ANN modeling and application to ADMETox evaluation Fulltext Access 15 Pages 2005
Thermochemistry of organic and heteroorganic species. Part XIII. Interrelationship for νCH values in RH molecules and enthalpy of formation of R free radicals in aliphatic compounds Fulltext Access 15 Pages 2005
Spectroscopy and relaxation dynamics of photoexcited anisole and anisole-d3 molecules in a supersonic jet Fulltext Access 15 Pages 2005
Infrared and Raman spectra, conformational analysis, ab initio calculations and vibrational assignment of 2-chloroethylsilyl chloride Fulltext Access 15 Pages 2005
X-ray and DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine hydrochloride Fulltext Access 15 Pages 2005
Potential energy surface and product branching ratios for the reaction of F(2P) with the methyl radical: An ab initio/RRKM study Fulltext Access 15 Pages 2005
Time-dependent polarized radiation transfer in semi-infinite binary Markovian media Fulltext Access 15 Pages 2005
One-, two- and three-photon spectroscopy of Ï-conjugated dendrimers: cooperative enhancement and coherent domains Fulltext Access 15 Pages 2005
Synthesis of and excited state processes in multichromophoric dendritic systems Fulltext Access 15 Pages 2005
On BaMgAl10O17:Eu2+ phosphor degradation mechanism: thermal treatment effects Fulltext Access 15 Pages 2005
Electron energy loss spectroscopy microanalysis and imaging in the transmission electron microscope: example of biological applications Fulltext Access 15 Pages 2005
Determination of the local chemistry of iron in inorganic and organic materials Fulltext Access 15 Pages 2005
An experimental and theoretical study of the valence shell photoelectron spectrum of tetrafluoromethane Fulltext Access 15 Pages 2005
Linear response at the 4-component relativistic density-functional level: application to the frequency-dependent dipole polarizability of Hg, AuH and PtH2 Fulltext Access 15 Pages 2005
Application of thermodynamic models to study micellar properties of sodium perfluoroalkyl carboxylates in aqueous solutions Fulltext Access 15 Pages 2005
Oxidative cyclodehydrogenation reaction for the design of extended 2D and 3D carbon nanostructures: A theoretical study Fulltext Access 15 Pages 2005
Spectroscopic properties of a two-level atom interacting with a complex spherical nanoshell Fulltext Access 15 Pages 2005
Implementing SPAM into STMAS: A net sensitivity improvement in high-resolution NMR of quadrupolar nuclei Fulltext Access 15 Pages 2005
The cumulative wavenumber method for modeling radiative transfer in gas mixtures with soot Fulltext Access 15 Pages 2005
Spectral and refractive effects in non-stationary radiative transfer: a theoretical study in dense media Fulltext Access 15 Pages 2005
Hemispherical transmittance determination of spectral radiative properties of the slab-like scattering specimen by moisture content variation Fulltext Access 15 Pages 2005
Entropy generation through radiative transfer in participating media: analysis and numerical computation Fulltext Access 15 Pages 2005
A consistent multigroup model for radiative transfer and its underlying mean opacities Fulltext Access 15 Pages 2005
Time-dependent diffusion and transport calculations using a finite-element-spherical harmonics method Fulltext Access 15 Pages 2005
Combined 17O NMR and 11B-31P double resonance NMR studies of sodium borophosphate glasses Fulltext Access 15 Pages 2005
Magnetic nanostructures as amplifiers of transverse fields in magnetic resonance Fulltext Access 15 Pages 2005
Theoretical study on the photoabsorption in the Herzberg I band system of the O2 molecule Fulltext Access 15 Pages 2005
The high-resolution infrared spectrum of 11BF3 from 400 to 1650Â cmâ1 Fulltext Access 15 Pages 2005
Residual dipolar couplings and some specific models for motional averaging Fulltext Access 15 Pages 2005
Assigning product ions from complex MS/MS spectra: The importance of mass uncertainty and resolving power Fulltext Access 16 Pages 2005
Effects of Solvent Flow, Dopant Flow, and Lamp Current on Dopant-Assisted Atmospheric Pressure Photoionization (DA-APPI) for LC-MS. Ionizationvia Proton Transfer Fulltext Access 16 Pages 2005
Tandem Mobility Mass Spectrometry Study of Electrosprayed Tetraheptyl Ammonium Bromide Clusters Fulltext Access 16 Pages 2005
Fragmentation of Negative Ions from Carbohydrates: Part 2. Fragmentation of High-Mannose N-Linked Glycans Fulltext Access 16 Pages 2005