The identification and quantification of highly stable 'common hairpin' in the dynamic process of co-transcriptional mRNA folding Fulltext Access 10 Pages 2005
Resonance stabilization and gas phase protonation in phosphorus ylides: probing through MO and DFT computations Fulltext Access 10 Pages 2005
A G3(MP2) study on the concerted cycloaddition reactions between ethylene and azines as well as other related heterocyclic systems Fulltext Access 10 Pages 2005
Three-dimensional quantitative structure-activity relationship study for analogues of TQXs using CoMFA and CoMSIA Fulltext Access 10 Pages 2005
Formaldehyde decomposition through profiles of global reactivity indices Fulltext Access 10 Pages 2005
Quantum mechanics calculations on the diastereomeric salts of cyclic phosphoric acids with ephedrine Fulltext Access 10 Pages 2005
QSAR study on N-containing corrosion inhibitors: Quantum chemical approach assisted by topological index Fulltext Access 10 Pages 2005
A Gaussian-3 investigation on the stabilities and bonding of the nine N10 clusters Fulltext Access 10 Pages 2005
Restricted rotation in six-membered cyclic nitrosamine compounds: an ab initio and DFT study and NBO analysis Fulltext Access 10 Pages 2005
Ab initio MO computation of the hydration effect on the ionization potential of sodium pyrenesulfonate Fulltext Access 10 Pages 2005
Theoretical study of borazine and its fluoroderivatives: aromaticity and cation-Ï, anion-Ï interaction Fulltext Access 10 Pages 2005
Ab initio study of singlet-triplet energy separations in C2HXSi silylenes (X=H, F, Cl and Br) Fulltext Access 10 Pages 2005
An ab initio and DFT comparative study of electronic effects on spin multiplicities and structures of X-C2N carbenes Fulltext Access 10 Pages 2005
A theoretical study of potassium cation binding to prolylglycine (PG) and glycylproline (GP) dipeptide Fulltext Access 10 Pages 2005
Molecular volume calculation using AM1 semi-empirical method toward diffusion coefficients and electrophoretic mobility estimates in aqueous solution Fulltext Access 10 Pages 2005
Molecular docking and 3D-QSAR study of pyranmycin derivatives against 16S rRNA A site Fulltext Access 10 Pages 2005
An ab initio (RHF) and DFT-B3LYP level spectroscopic studies of BrCCCN and the analysis of atomic polar tensors Fulltext Access 10 Pages 2005
Non-convertional hydrogen bonding interaction of BH3NH3 complexes: a comparative theoretical study Fulltext Access 10 Pages 2005
Quantitative structure-property relationship study of GC retention indices for PCDFs by DFT and relative position of chlorine substitution Fulltext Access 10 Pages 2005
Computational experiment on hydroformylation and hydrogenation of ethyne catalyzed by Rh complex: a competitive study Fulltext Access 10 Pages 2005
Structural properties and electron transfer reactivity of NX3/NX3+ (X=H, F) coupling systems Fulltext Access 10 Pages 2005
Using spectroscopic ellipsometry for quick prediction of number density of nanoparticles bound to non-transparent solid surfaces Fulltext Access 10 Pages 2005
Variations in interfacial properties during cell conditioning and influence of heat-treatment of ionomer on the characteristics of direct methanol fuel cells Fulltext Access 10 Pages 2005
Passivity and passivity breakdown of a zinc electrode in aerated neutral sodium nitrate solutions Fulltext Access 10 Pages 2005
Effect of pore size distribution of coal-based activated carbons on double layer capacitance Fulltext Access 10 Pages 2005
Investigation of hydrogen transport through Mm(Ni3.6Co0.7Mn0.4Al0.3)1.12 and Zr0.65Ti0.35Ni1.2V0.4Mn0.4 hydride electrodes by analysis of anodic current transient Fulltext Access 10 Pages 2005
Morphological changes of polycaprolactone with high-pressure CO2 treatment Fulltext Access 10 Pages 2005
Nano-particles formation for pigment red 177 via a continuous supercritical anti-solvent process Fulltext Access 10 Pages 2005
Micellization of sodium bis(2-ethylhexyl)sulfosuccinate in supercritical CO2 with fluorinated co-surfactant and its solubilization of hydrophilic species Fulltext Access 10 Pages 2005
Simulation of aqueous and supercritical fluid dyeing of a spool of yarn Fulltext Access 10 Pages 2005
Operating regimes and mechanism of particle formation during the precipitation of polymers using the PCA process Fulltext Access 10 Pages 2005
Laminar jet dispersion and jet atomization in pressurized carbon dioxide Fulltext Access 10 Pages 2005
Production of amino acids from bovine serum albumin by continuous sub-critical water hydrolysis Fulltext Access 10 Pages 2005
Dense CO2 expanded methanol solvent system for synthesis of naproxen via enantioselective hydrogenation Fulltext Access 10 Pages 2005
Conformation and function of N-hydroxy-glyphosate and N-amino-glyphosate: a comparative study using ab initio MO theory Fulltext Access 10 Pages 2005
Growth of zinc phthalocyanine onto ZnS film investigated by synchrotron radiation-excited X-ray photoelectron and near-edge absorption spectroscopy Fulltext Access 10 Pages 2005
Periodic ab initio calculation of nuclear quadrupole parameters as an assignment tool in solid-state NMR spectroscopy: applications to 23Na NMR spectra of crystalline materials Fulltext Access 10 Pages 2005
Silver ion dynamics in silver borate glasses: spectra and multiple-time correlation functions from 109Ag-NMR Fulltext Access 10 Pages 2005
Structure/transport relationships in silver-based oxide glasses: 1-D and 2-D NMR information Fulltext Access 10 Pages 2005
Multiple-magnetic field 139La NMR and density functional theory investigation of the solid lanthanum(III) halides Fulltext Access 10 Pages 2005
A study of the headgroup motion of sphingomyelin using 31P NMR and an analytically soluble model Fulltext Access 10 Pages 2005
Applying in vitro NMR spectroscopy and 1H NMR metabonomics to breast cancer characterization and detection Fulltext Access 10 Pages 2005
Comparative study on effects of bridging and terminal ligands on magnetic exchange interaction in [(NH3)5Cr((μ-X)Cr(NH3)4L]n+ (X=O, OH; L=OH, OH2, NH3; n=4, 5): density functional theory study Fulltext Access 10 Pages 2005
Study of relationship of atomic orbital hybridization with bonding using hybridization displacement charge: optimal hybridization principle Fulltext Access 10 Pages 2005
Ion transport in thin cell electrodeposition: modelling three-ion electrolytes in dense branched morphology under constant voltage and current conditions Fulltext Access 10 Pages 2005
A new approach for monitoring corrosion and flow characteristics in oil/brine mixtures Fulltext Access 10 Pages 2005
Effect of concentration and temperature on electrochemical oscillations during sulfide oxidation on Ti/Ta2O5–IrO2 electrodes Fulltext Access 10 Pages 2005
Development of high-performance magnetic thin film for high-density magnetic recording Fulltext Access 10 Pages 2005
Materials computation towards technological impact: The multiscale approach to thin films deposition Fulltext Access 10 Pages 2005
Determination of open-circuit potentials at gas/electrode/YSZ boundary versus molten carbonate reference electrode at medium temperatures: I. Potentials of Au and Pt in O2 and H2 + H2O atmospheres Fulltext Access 10 Pages 2005
Combinatorial micro electrochemistry: Part 1. Automated micro electrosynthesis of iminoquinol ether and [1,2,4]triazolo[4,3-a]pyridinium perchlorate collections in the wells of microtiter plates Fulltext Access 10 Pages 2005
Influence of citric acid on the silver electrodeposition from aqueous AgNO3 solutions Fulltext Access 10 Pages 2005
Stereoselective synthesis of optically active 2-alkylpiperidines utilizing electrochemical oxidation as a key step Fulltext Access 10 Pages 2005
Combinatorial microelectrochemistry : Part 3. On-line monitoring of electrolyses by steady-state cyclic voltammetry at microelectrodes Fulltext Access 10 Pages 2005
Single-ion conducting polymer–silicate nanocomposite electrolytes for lithium battery applications Fulltext Access 10 Pages 2005
Recycling of aluminum metal matrix composite using ionic liquids:: Effect of process variables on current efficiency and deposit characteristics Fulltext Access 10 Pages 2005
Effect of anode flow field design on the performance of liquid feed direct methanol fuel cells Fulltext Access 10 Pages 2005
Self-assembled organic monolayers on gold nanoparticles: A study by sum-frequency generation combined with UV–vis spectroscopy Fulltext Access 10 Pages 2005
Nucleation and diffusion-controlled growth of electroactive centers: Reduction of protons during cobalt electrodeposition Fulltext Access 10 Pages 2005
Electrochemical properties of microwave irradiated synthesis of poly(3,4-ethylenedioxythiophene)/V2O5 nanocomposites as cathode materials for rechargeable lithium batteries Fulltext Access 10 Pages 2005
Specific surface reactions for identification of platinum surface domains: Surface characterization and electrocatalytic tests Fulltext Access 10 Pages 2005
The liquid-like layer between metal and frozen aqueous electrolytes: An electrochemical approach employing the quartz crystal microbalance Fulltext Access 10 Pages 2005
Application of gravity electrode to the analysis of iron-pitting corrosion under vertical gravity field Fulltext Access 10 Pages 2005
Modification of 1018 carbon steel corrosion process in alkaline sour medium with a formulation of chemical corrosion inhibitors Fulltext Access 10 Pages 2005
Electrodeposition of ternary CuAgSe thin films: Use of the electrochemical quartz crystal microbalance approach for real-time phase quantification Fulltext Access 10 Pages 2005
A theoretical study of an expanding monomer and an oxirane Part 1: Expanding monomer reactions Fulltext Access 10 Pages 2005
Conformational population distribution of acetylcholine, nicotine and muscarine in vacuum and solution Fulltext Access 10 Pages 2005
Structures and properties of cytosine-BX3 (X=F, Cl) complexes: an investigation with DFT and MP2 methods Fulltext Access 10 Pages 2005
Study of the hydrogen bonding interaction of 1:1 complexes of serine with formamide using density functional theory Fulltext Access 10 Pages 2005
An assessment of a simple hardness kernel approximation for the calculation of the global hardness in a series of Lewis acids and bases Fulltext Access 10 Pages 2005
Quantitative aquatic toxicity prediction: using group contribution and classification methods on polar and non-polar narcotics Fulltext Access 10 Pages 2005
The legacy of the past, the reality of the present and the hopes of the future Fulltext Access 10 Pages 2005
C-H functionalisation through carbene and fluorocarbene insertion-ab initio and DFT investigations Fulltext Access 10 Pages 2005
New insights into structural and electrochemical properties of anisotropic polymer electrolytes Fulltext Access 10 Pages 2005
Lineshape parameters for water vapor in the 3.2-17.76 μm region for atmospheric applications Fulltext Access 10 Pages 2005
A sensitivity study on spectroscopic parameter accuracies for a mm/sub-mm limb sounder instrument Fulltext Access 10 Pages 2005
Rotational spectroscopy of the first excited state of the acetylenic C-H stretch of 3-fluoropropyne performed by infrared-Fourier transform microwave-microwave triple-resonance spectroscopy Fulltext Access 10 Pages 2005
Fourier transform emission spectroscopy of the TiF radical in the 407Â nm region Fulltext Access 10 Pages 2005
Line parameters of HDO from high-resolution Fourier transform spectroscopy in the 11Â 500-23Â 000Â cmâ1 spectral region Fulltext Access 10 Pages 2005
The isotopic dependence of axes switching in thiophosgene induced by AË1A2(nÏâ)âXË1A1 electronic excitation Fulltext Access 10 Pages 2005
Accurate rotational spectroscopy of sulfur dioxide, SO2, in its ground vibrational and first excited bending states, v2Â =Â 0, 1, up to 2Â THz Fulltext Access 10 Pages 2005
Effects of the spectral inhomogeneity on the optical properties in the four-wave mixing signal Fulltext Access 10 Pages 2005
Laser spectroscopy of the A[16.4]8.5-X7.5, A[16.4]8.5-Y[0.15]8.5, and A[16.4]8.5-Z[0.85]7.5 transitions of dysprosium monochloride Fulltext Access 10 Pages 2005
High resolution study of the six lowest doubly excited vibrational states of PH2D Fulltext Access 10 Pages 2005
The Lamb-dip spectrum of the J + 1 â J (J = 0, 1, 3-8) transitions of H13CN: The nuclear hyperfine structure due to H, 13C, and 14N Fulltext Access 10 Pages 2005