Raman spectrometry of explosives with a no-moving-parts fiber coupled spectrometer: A comparison of excitation wavelength Fulltext Access 12 Pages 2005
A performance comparison of modern statistical techniques for molecular descriptor selection and retention prediction in chromatographic QSRR studies Fulltext Access 12 Pages 2005
Adduct formation in LC-ESI-MS of nonylphenol ethoxylates: mass spectrometrical, theoretical and quantitative analytical aspects Fulltext Access 12 Pages 2005
Preparation and evaluation of n-octadecylphosphonic acid-modified magnesia-zirconia stationary phases for reversed-phase liquid chromatography Fulltext Access 12 Pages 2005
Black crusts and patinas on Pentelic marble from the Parthenon and Erechtheum (Acropolis, Athens): characterization and origin Fulltext Access 12 Pages 2005
Study of 17β-estradiol-3-benzoate, 17α-methyltestosterone and medroxyprogesterone acetate fixation in bovine hair Fulltext Access 12 Pages 2005
Simultaneous impedance measurements of two one-face sealed resonating piezoelectric quartz crystals for in situ monitoring of electrochemical processes and solution properties Fulltext Access 12 Pages 2005
Development of a class selective immunoassay for the type II pyrethroid insecticides Fulltext Access 12 Pages 2005
Pressurized liquid extraction using water/isopropanol coupled with solid-phase extraction cleanup for industrial and anthropogenic waste-indicator compounds in sediment Fulltext Access 12 Pages 2005
Evaluation of the stability and analysis of halogenated furanones in disinfected drinking waters Fulltext Access 12 Pages 2005
Preprocessing and exploratory analysis of chromatographic profiles of plant extracts Fulltext Access 12 Pages 2005
Polycyclic aromatic hydrocarbon analysis in different matrices of the marine environment Fulltext Access 12 Pages 2005
A new procedure for the modelling and representation of classes in multivariate images Fulltext Access 12 Pages 2005
Effect of temperature and CO2 concentration on laser-induced breakdown spectroscopy measurements of alkali fume Fulltext Access 12 Pages 2005
Laser-induced breakdown spectroscopy in water: Improvement of the detection threshold by signal processing Fulltext Access 12 Pages 2005
Complex formation between aliphatic amines and chromogenic calix[4]arene derivatives studied by FT-IR spectroscopy Fulltext Access 12 Pages 2005
The vibrational spectra of (CH3)3SiX (SÂ =Â H, F, Br) molecules, revisited Fulltext Access 12 Pages 2005
Vibrational assignment, structure and intramolecular hydrogen bond of 4-methylamino-3-penten-2-one Fulltext Access 12 Pages 2005
Is it biologically relevant to measure the structures of small peptides in the gas-phase? Fulltext Access 12 Pages 2005
Insights into nucleic acid reactivity through gas-phase experimental and computational studies Fulltext Access 12 Pages 2005
Ion/molecule reactions of 2-chloro- and 2-bromopropene radical cations with methanol and ethanol-FT-ICR spectrometry and DFT calculations Fulltext Access 12 Pages 2005
A theoretical study of trivalent lanthanide ion microsolvation in water clusters from first principles Fulltext Access 12 Pages 2005
Experimental and theoretical studies of charge transfer and hydride transfer in the reactions of OD+ and C2H4 Fulltext Access 12 Pages 2005
Etude théorique et expérimentale des spectres de vibration des phosphates K3Ln(PO4)2 Fulltext Access 12 Pages 2005
Infrared and Raman spectroscopic study of pH-induced structural changes of l-histidine in aqueous environment Fulltext Access 12 Pages 2005
Use of chemical modification and spectroscopic techniques to determine the binding and coordination of gadolinium(III) and neodymium(III) ions by alfalfa biomass Fulltext Access 12 Pages 2005
Detecting art forgeries using LA-ICP-MS incorporating the in situ application of laser-based collection technology Fulltext Access 12 Pages 2005
An application of derivative and continuous wavelet transforms to the overlapping ratio spectra for the quantitative multiresolution of a ternary mixture of paracetamol, acetylsalicylic acid and caffeine in tablets Fulltext Access 12 Pages 2005
Preconcentrative separation of palladium(II) using palladium(II) ion-imprinted polymer particles formed with different quinoline derivatives and evaluation of binding parameters based on adsorption isotherm models Fulltext Access 12 Pages 2005
Quantification of the intensity enhancements for the double-pulse laser-induced breakdown spectroscopy in the orthogonal beam geometry Fulltext Access 12 Pages 2005
Use of the vacuum ultraviolet spectral region for laser-induced breakdown spectroscopy-based Martian geology and exploration Fulltext Access 12 Pages 2005
Laser-induced breakdown spectroscopy for space exploration applications: Influence of the ambient pressure on the calibration curves prepared from soil and clay samples Fulltext Access 12 Pages 2005
Feasibility of depth profiling of Zn-based coatings by laser ablation inductively coupled plasma optical emission and mass spectrometry using infrared Nd:YAG and ArF* lasers Fulltext Access 12 Pages 2005
Dinuclear versus tetranuclear cluster formation in zinc(II) nitrate/di-2-pyridyl ketone chemistry: synthetic, structural and spectroscopic studies Fulltext Access 12 Pages 2005
Vibrational spectroscopic studies, conformations and ab initio calculations of 3,3,3-trifluoropropyltrichlorosilane Fulltext Access 12 Pages 2005
Energies of charge transfer and supramolecular interactions of some mono O-substituted calix[6]arenes with [60]fullerene by absorption spectrometric method Fulltext Access 12 Pages 2005
Metal remediation and preconcentration using immobilized short-chain peptides composed of aspartic acid and cysteine Fulltext Access 12 Pages 2005
Evaluation of Different Quantitative Approaches for the Determination of Noneasily Ionizable Molecules by Different Atmospheric Pressure Interfaces Used in Liquid Chromatography Tandem Mass Spectrometry: Abamectin as Case of Study Fulltext Access 12 Pages 2005
Blackbody Infrared Radiative Dissociation of Nonspecific Protein-Carbohydrate Complexes Produced by Nanoelectrospray Ionization: The Nature of the Noncovalent Interactions Fulltext Access 12 Pages 2005
Investigation of electrospray ionization and electrostatic focusing devices using a three-dimensional electrospray current density profiler Fulltext Access 12 Pages 2005
Direct Qualitative Analysis of Triacylglycerols by Electrospray Mass Spectrometry Using a Linear Ion Trap Fulltext Access 12 Pages 2005
Controlling Gas-Phase Reactions for Efficient Charge Reduction Electrospray Mass Spectrometry of Intact Proteins Fulltext Access 12 Pages 2005
Thermochemical Stabilities and Structures of the Cluster Ions OCS+, S2+, H+(OCS), and C2H5+ with OCS Molecules in the Gas Phase Fulltext Access 12 Pages 2005
Elucidation of the presence and location of t-Boc protecting groups in amines and dipeptides using on-column H/D exchange HPLC/ESI/MS Fulltext Access 12 Pages 2005
Minimum cost acceptance sampling plans for grain control, with application to GMO detection Fulltext Access 12 Pages 2005
Theoretical study of anharmonic vibrational spectra of HNO3, HNO3-H2O, HNO4: Fundamental, overtone and combination excitations Fulltext Access 12 Pages 2005
Surface detection of chemical warfare agent simulants and degradation products Fulltext Access 12 Pages 2005
Multivariate calibration applied to the field of cultural heritage: Analysis of the pigments on the surface of a painting Fulltext Access 12 Pages 2005
Topological analysis of the electron density and of the electron localization function of pyrene and its radicals Fulltext Access 12 Pages 2005
Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl â ClH + Cl(2P) reaction Fulltext Access 12 Pages 2005
Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes Fulltext Access 12 Pages 2005
Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations Fulltext Access 12 Pages 2005
Relativistic effects on experimentally studied gas-phase properties of the heaviest elements Fulltext Access 12 Pages 2005
Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials Fulltext Access 12 Pages 2005
Quantum-chemical insight into the design of molecular optoelectrical switch Fulltext Access 12 Pages 2005
Potential energy surface survey towards prediction of a new radical [H2,Si,C,N] Fulltext Access 12 Pages 2005
UV/Vis/NIR spectral properties of triarylamines and their corresponding radical cations Fulltext Access 12 Pages 2005
Application of the encounter theory to the description of degenerate electron exchange reactions: spin kinetics at low magnetic fields Fulltext Access 12 Pages 2005
Chemometrical exploration of an isotopic ratio data set of acetylsalicylic acid Fulltext Access 12 Pages 2005
Primary events in the bacteriorhodopsin photocycle: Torsional vibrational dephasing in the first excited electronic state Fulltext Access 12 Pages 2005
Theoretical and spectroscopic studies of pyridyl substituted bis-coumarins and their new neodymium (III) complexes Fulltext Access 12 Pages 2005
A combined spectroscopic and theoretical study of oxo- and thiono-sparteines Fulltext Access 12 Pages 2005
Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study Fulltext Access 12 Pages 2005
Mathematical functions for the analysis of luminescence decays with underlying distributions 1. Kohlrausch decay function (stretched exponential) Fulltext Access 12 Pages 2005
An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide Fulltext Access 12 Pages 2005
The effects of H-F and H-D substitutions on Jahn-Teller effects and charge transfer in the monocations of B, N-substituted acenes Fulltext Access 12 Pages 2005
The essential role of the electronegativity perturbation in vibronic interactions in positively charged B,N-substituted acenes Fulltext Access 12 Pages 2005
Infrared spectroscopic detection of the methylsilyl (CH3SiH2, X2Aâ²) and the silylmethyl (CH2SiH3, X2Aâ²) radicals and their partially deuterated counterparts in low temperature matrices Fulltext Access 12 Pages 2005
Correlation of observed and model vibrational frequencies for aqueous organic acids: UV resonance Raman spectra and molecular orbital calculations of benzoic, salicylic, and phthalic acids Fulltext Access 12 Pages 2005
Use of second-order calibration for residue screening of some triazines in the presence of coeluting interferences by gas chromatography-selected ion mass spectrometry Fulltext Access 12 Pages 2005
Applications, features, and mechanistic aspects of liquid water beam desorption mass spectrometry Fulltext Access 12 Pages 2005
Gas-phase CS bond cleavage and crown opening versus nitrogen heterocycle loss from RuII complex ions with 1,4,7,10-tetrathiacyclododecane and bidentate diimines Fulltext Access 12 Pages 2005
Fragmentations and reactions of some isotopically labelled dimethyl methyl phosphono and trimethyl phosphoro thiolates and thionates studied by electrospray ionisation ion trap mass spectrometry Fulltext Access 12 Pages 2005
Characterisation of secondary electron multiplier nonlinearity using MC-ICPMS Fulltext Access 12 Pages 2005
On-line analysis of organic compounds in diesel exhaust using a proton transfer reaction mass spectrometer (PTR-MS) Fulltext Access 12 Pages 2005
An improved optimization algorithm and a Bayes factor termination criterion for sequential projection pursuit Fulltext Access 12 Pages 2005
Combinatorial libraries and the development of organic synthetic methods. PLS modelling to discriminate between successful and failed reaction systems Fulltext Access 12 Pages 2005
Application of evolving factor analysis to on-flow LC-NMR data using spectral windows Fulltext Access 12 Pages 2005
New and Automated MSn Approaches for Top-Down Identification of Modified Proteins Fulltext Access 12 Pages 2005
Development of an immunochromatographic method to determine β-lactoglobulin at trace levels Fulltext Access 12 Pages 2005
Microwave-assisted extraction of OCPs, PCBs and PAHs concentrated by semi-permeable membrane devices (SPMDs) Fulltext Access 12 Pages 2005
Potentials of multisyringe flow injection analysis for chemiluminescence detection Fulltext Access 12 Pages 2005
Prediction of enantioselectivity using chirality codes and Classification and Regression Trees Fulltext Access 12 Pages 2005
Caterpillar-an adaptive algorithm for detecting process changes from acoustic emission signals Fulltext Access 12 Pages 2005
The variance of screening and supersaturated design results as a measure for method robustness Fulltext Access 12 Pages 2005
Critical validation of a new simpler approach to estimate aqueous pKa of drugs sparingly soluble in water Fulltext Access 12 Pages 2005
Classification of olive oils using high throughput flow 1H NMR fingerprinting with principal component analysis, linear discriminant analysis and probabilistic neural networks Fulltext Access 12 Pages 2005