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Abstracts: 139La NMR relaxation and chemical shift studies in the aqueous nitrate and chloride solutions. Chemical modification of polystyrene surfaces by low-energy polyatomic ion beams
Abstracts: 13C and 27Al NMR relaxation, viscosity, and 1H diffusion studies of an ethylaluminum dichloride melt. 139La NMR relaxation and chemical shift studies in the aqueous nitrate and chloride solutions
Abstracts: 150-year-old Sud-Chemie has a new parent. Univar completes Chemcentral acquisition. Cognis to exit Process Chemicals?
Abstracts: 1-anilino-8-napthalene-sulfonate (ANS) binding to proteins investigated by electrospray ionization mass spectrometry: correlation of gas-phase dye binding to population of molten globule states in solution
Abstracts: 1s2p Resonant inelastic X-ray scattering of iron oxides. In situ X-ray absorption of Co/Mn/TiO2 catalysts for Fisher-Tropsch synthesis
Abstracts: 2,2,2-triflouroethanol-induced molten globule state of concanavalin A and energetics of 8-anilinonaphthalene sulfonate binding: Calorimetric and spectroscopic investigation
Abstracts: [2+2] cycloaddition reactions of ethylene derivatives with the Si(100)-2 X 1 surface: A theoretical study. Packing structures and packing effects on excitation energies of amorphous phase oligothiophenes
Abstracts: 23Na nuclear magnetic resonance and 1H pulsed gradient spin-echo detection of the critical concentration corresponding to the isotrope/nematic transition within aqueous dispersions of charged anisotropic nanoparticles
Abstracts: 23Na nuclear quadrupolar relaxation as a probe of the microstructure and dynamics of aqueous clay dispersions: an application to laponite gels
Abstracts: 2H solid-state NMR investigation of terephthalate dynamics and orientation in mixed-anion hydrotalcite-like compounds
Abstracts: 3D carbon nanotube architectures on glass substrate by stamp printing bimetallic Fe-Pt/polymer catalyst. Patterned growth of well-aligned carbon nanotubes: a soft-lithographic approach
Abstracts: 3D carbon nanotube architectures on glass substrate by stamp printing bimetallic Fe-Pt/polymer catalyst. part 2
Abstracts: 51V ESE-ENDOR studies of oxovanadium(IV) complexes: investigation of the nuclear quadrupole interaction. Electronic structure of the aqueous vanadyl ion probed by 9 and 94 GHz EPR and pulsed ENDOR spectroscopies and density functional theory calculations
Abstracts: 6In situ spectroscopy and microscopic study on dispersion of Ag nanoparticles in polymer thin films. Customized morphologies of self-condensed multisegment polymer nanowires
Abstracts: 87Rb NMR studies of molten and glassy 2Ca(NO3)2-3RbNO3. Competitive interactions and glassy state extension in lithium salt solutions
Abstracts: 95-670 GHz EPR studies of canthaxanthin radical cation stabilized on a silica-alumina surface. The g-factor anisotropy of plant chlorophyll a(super +)
Abstracts: Abatement of an azo dye on structured C-Nafion/Fe-ion surfaces by photo-Fenton reactions leading to carboxylate intermediates with a remarkable biodegradability increase of the treated solution
Abstracts: A bias-exchange approach to protein folding. Oscillatory molecular driving force for protein folding at high concentration: a molecular simulation
Abstracts: Ab initio and density functional study of the activation barrier for ethane cracking in cluster-models of zeolite H-ZSM-5
Abstracts: Ab initio and work function and surface energy anisotropy of La[B.sub.6]. Study of the mechanism of electron-transfer quenching by boron-nitrogen adducts in fluorescent sensors
Abstracts: Ab initio calculation of adsorption to beta-SiC clusters. Surface self-diffusion of organic molecules adsorbed in porous silicon
Abstracts: Ab initio calculations of NMR parameters of highly coordinated oxygen sites in aluminosilicates. Proton transfer in hydrated microporous aluminosilicates: A (super 1)H NMR study of zeolite chabazite
Abstracts: Ab initio calculations on a critical part of a protein, with an H5O2 partially charged group in a central role
Abstracts: Ab initio cluster model study of the chemisorption of CO on low-index platinum surfaces. Selectivity control for the catalytic 1,3-butadiene hydrogenation on Pt(111) and Pd(111) surfaces: Radical versus closed-shell intermediates
Abstracts: Ab initio electron transport study of carbon and boron-nitrogen nanowires. Mechanism of water vapor transport through PET/AlO(sub x)N(sub y) gas barrier films
Abstracts: Ab initio investigation of structure and cohesive energy of crystalline urea. Quantum chemical design of hydroxyurea derivatives for the treatment of sickle-cell anemia
Abstracts: Ab initio investigation of the structural and electronic properties of the molecules and crystals of tetraphenyl derivatives of group IVA elements
Abstracts: Ab initio modeling of amide I coupling in antiparallel beta-sheets and the effect of (super 13)C isotopic labeling on infrared spectra
Abstracts: Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-[(Aib-Aib-TOAC).sub.2]-Aib-OMe in acetonitrile
Abstracts: Ab initio modeling of the metal-support interface: the interaction of Ni, Pd, and Pt on MgO(100). Chemisorption of benzene on Pt (111), Pd (111), and Rh (111) metal surfaces: a structural and vibrational comparison from first principles
Abstracts: Ab initio molecular dynamics simulation of a room temperature ionic liquid. Physical techniques for the investigation of molecular magnetic clusters
Abstracts: Ab initio molecular dynamics study of uracil in aqueous solution. Circular hydrogen bond networks on the surface of beta-ribofuranose in aqueous solution
Abstracts: Ab initio molecular orbital study of XO2+ (X = F, Cl, Br, I) systems. Simulation of water in a small pore: effect of electric field and density II: immobilized molecules
Abstracts: Ab initio molecular orbital study on the oxidation mechanism for dimethylamine borane as a reductant for an electroless deposition process
Abstracts: Ab initio periodic Hartree-Fock calculations for interpretation of the scanning tunneling microscope (STM) images of graphite
Abstracts: Ab initio prediction of tryptophan fluorescence quenching by protein electric field enabled electron transfer
Abstracts: Ab initio quantum mechanical/molecular mechanical molecular dynamics simulation of enzyme catalysis: The case of histone lysine methyltransferase SET7/9
Abstracts: Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a Lewis acid
Abstracts: Ab initio studies on nanoscale friction between fluorinated diamond surfaces: Effect of model size and level of theory
Abstracts: Ab initio study of benzene-BX3 (X = H, F, Cl) interactions. Cation affinities of cyclohexadepsipeptide: ab initio study
Abstracts: Ab initio study of chemisorption reactions for carboxylic acids on hydrogenated silicon surfaces. Temperature-controlled growth of silicon-based nanostructures by thermal evaporation of SiO powders
Abstracts: Ab initio study of energetic solids: Cupric azide, mercuric azide, and lead azide. Comparative first-principles study of structural and optical properties of alkali metal azides
Abstracts: Ab initio study of energetic solids: Cupric azide, mercuric azide, and lead azide. part 2 Solvent and protein effects on the vibrational frequency shift and energy relaxation of the azide ligand in carbonic anhydrase
Abstracts: Ab initio study of the interaction of water with cluster models of the aluminum terminated (0001) alpha-aluminum oxide surface
Abstracts: Ab initio study of the two-photon circular dichroism in chiral natural amino acids. Theoretical prediction on efficient formation of amino acid via an aza-wittig reaction
Abstracts: Ab initio study on molecular and thermodynamic properties of water: a theoretical prediction of pKw over a wide range of temperature and density
Abstracts: Ab initio study on the adsorption of hydrated [Na.sup.+] and [Ag.sup.+] cations on a Ag(111) surface. Ab initio study on adsorption of hydrated Na(super +) and Cu(super +) cations on the Cu(111) surface
Abstracts: Ab initio surface phase diagram of the {1014} calcite surface. Atomistic simulation of the dissociative adsorption of water on calcite surfaces
Abstracts: Ab intio molecular dynamics of liquid 1,3-dimethylimidazolium chloride. Molecular dynamics simulations of bulk native crystalline and amorphous structures of cellulose
Abstracts: A bis(p-sulfonatophenyl)phenylphosphine-based synthesis of hollow pt nanospheres. Nanocrystal arrested precipitation in supercritical carbon dioxide
Abstracts: A brief review of the relationships between monolayer viscosity, phase behavior, surface pressure, and temperature using a simple monolayer viscometer
Abstracts: A Brownian dynamics simulation of an acyl chain and a molecule confined in a phospholipid bilayer in the gel and liquid crystal phases
Abstracts: Abrupt structural transformation in hydrotalcite-like compounds Mg(sub 1-x)Al(sub x)(OH)(sub 2)(NO3)(sub x).nH2O as a continuous function of nitrate anions
Abstracts: Abrupt structural transformation in hydrotalcite-like compounds Mg(sub 1-x)Al(sub x)(OH)(sub 2)(NO3)(sub x).nH2O as a continuous function of nitrate anions. part 2
Abstracts: Absence of phase transitions in the hydrogen bond subsystem of associated fluids. Visual and spectroscopic demonstration of intercrystalline migration and resultant photochemical reactions of aromatic molecules adsorbed in zeolites
Abstracts: Absolute and relative entropies from computer simulation with applications to ligand binding. How to adapt scatchard plot for graphically addressing cooperativity in multicomponent self- assemblies
Abstracts: Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
Abstracts: Absorption of unsaturated hydrocarbon moieties on H:Si(111) by Grignard reaction. Dry synthesis of triple cumulative bonds (C=C=C=N) on Si(111)-7 x 7 surfaces
Abstracts: Absorption spectra of first-row transition metal complexes of bacteriochlorins: A theoretical analysis. Spectroscopic properties of porphyrin-like photosensitizers: Insights from theory
Abstracts: A C60-embedded artificial bilayer membrane film electrode device: phase-transition-dependent electrochemistry
Abstracts: Academic interface. What's in a name? Not purely cosmetic
Abstracts: A calorimetric investigation of the interaction of short chain alcohols with unilamellar DMPC liposomes. Partitioning of small alcohols into dimyristoyl phosphatidylcholine (DMPC) memberanes: volumetric properties
Abstracts: A calorimetry and light scattering study of the formation and shape transition of mixed micelles of E[O.sub.20]P[P.sub.68]E[O.sub.20] triblock copolymer (P123) and nonionic surfactant ([C.sub.12]E[O.sub.6])
Abstracts: A carbazole-naphthalene system having a flexible alkyl spacer doped in poly(methyl methacrylate) matrixes. Intramolecular excimer emission of triply bridged [3.3.n](3,6,9) carbazolophanes
Abstracts: A case study in the molecular interpretation of optical Kerr effect spectra: Instantaneous-normal-mode analysis of the OKE spectrum of liquid benzene
Abstracts: A cationic fluorocarbon surfactant DEFUMACl and its mixed systems with cationic surfactants: [super 19]F NMR and surface tension study
Abstracts: Accessibility of cation site in zeolites by 6Li MAS NMR spectroscopy using paramagnetic O2 as a chemical shift agent. The example of zeolite Li-LSX
Abstracts: Accessing the dynamics of end-grafted flexible polymer chains by atomic force-electrochemical microscopy. Theoretical modeling of the approach curves by the elastic bounded diffusion model and Monte Carlo simulations. Evidence for compression-induced lateral chain escape
Abstracts: Accommodation of alcohols by the liquid/vapor interface of water: molecular dynamics study. Multidimensional transition state theory and the validity of Grote-Hynes theory
Abstracts: Accurate prediction of absolute acidity constants in water with a polarizable force field: Substituted phenols, methanol, and imidazole
Abstracts: Accurate quantitative structure-property relationship model to predict the solubility of C(sub 60) in various solvents based on a novel approach using a least-squares support vector machine
Abstracts: Accurate single molecule FRET efficiency determination for surface immobilized DNA using maximum likelihood calculated lifetimes
Abstracts: Accurate thermochemical properties of energetic materials applications. II. Heats of formation of imidazolium-, 1,2,4-triazolium-, and tetrazolium-based energetic salts from isodemic and lattice energy calculations
Abstracts: Acetone chemistry on oxidized ad reduced TiO2(110). Photooxidation of acetone on TiO2(110): Conversion to acetate via methyl radical ejection
Abstracts: Acetylene coupling on Cu(111): Formation of butadiene, benzene, and cyclooctatetraene. A first principles analysis of acetylene hydrogenation over Pd(111)
Abstracts: A chemical approach to understand fragilities of glass-forming liquids. Absence of germanate anomaly in ternary lithium germanophosphate glasses: modification behavior of mixed glass system of strong and fragile formers
Abstracts: A chemical, morphological, and electrochemical (XPS, SEM/EDX, CV, and EIS) analysis of electrochemically modified electrode surfaces of natural chalcopyrite (CuFeS2) and pyrite (FeS2) in alkaline solutions
Abstracts: Acid-base characterization of aluminum oxide surfaces with XPS. Quantitative XPS analysis of PEG-modified silicon surfaces
Abstracts: Acid-Base Equilibrium Constants at the Water Surface and Distribution Coefficients between the Surface and the Bulk as Studied by the Laser Two-Photon Ionization Technique
Abstracts: Acidic character of metal-loaded amorphous and crystalline silica-aluminas determined by XPS and adsorption calorimetry
Abstracts: Acidic property of y- and mordenite-type zeolites with high aluminum concentration under dry conditions. Ultra-fine tuning of microporous opening size of zeolite by CVD
Abstracts: Acidity adjustment of HZSM-5 zeolites by dealumination and realumination with steaming and citric acid treatments
Abstracts: Acidity and hydrophobicity of TS-1. A method for characterizing effective pore sizes of catalysts. Dynamics of the electrochemical behavior of diimine tricarbonyl rhenium(I) complexes in strictly aprotic media
Abstracts: Acidity and hydrophobicity of TS-1. Intrinsic catalytic cracking activity of hexane over H-ZSM-5, H-beta and H-Y zeolites
Abstracts: Acidity of mesoporous Mo[O.sub.x]/Zr[O.sub.2] and W[O.sub.x]/Zr[O.sub.2] materials: A combined solid-state NMR and theoretical calculation study
Abstracts: Acido-triggered nonlinear optical switches: benzazolo-oxazolidines . Evidence for spontaneous formation of three-dimensionally periodic cellular structures in a water/oil/surfactant/alcohol system
Abstracts: A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solution
Abstracts: A coherent mixing mechanism explains the photoinduced nuclear polarization in photosynthetic reaction centers
Abstracts: A combined experimental and theoretical evaluation of the structure of hydrated microporous aluminophosphate AlPO(sub 4)-18
Abstracts: A combined ONIOM quantum chemical-molecular dynamics study of zinc-uracil bond breaking in yeast cytosine deaminase
Abstracts: A combined pressure-controlled scanning calorimetry and Monte Carlo determination of the Joule-Thomson inversion curve. Application of methane
Abstracts: A combined pressure-controlled scanning calorimetry and Monte Carlo determination of the Joule-Thomson inversion curve. Application of methane. part 2
Abstracts: A combined solid-state NMR and diffraction study of the structures and acidity of fluorinated aluminas: implications for catalysts
Abstracts: A comparative study of nitrogen physisorption on different C(sub 70) crystal structures using an ab initio based potential
Abstracts: A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory
Abstracts: A comparative study of the interaction between nafcillin and catalase by equilibrium dialysis and (X1)-potential measurements
Abstracts: A comparative study of the surface structure, acidity, and catalytic performance of tungstated zirconia prepared from crystalline zirconia or amorphous zirconium oxyhydroxide
Abstracts: A comparison of the adsorption and diffusion of hydrogen on the {111} surfaces of Ni, Pd, and Pt from density functional theory calculations
Abstracts: A complete structural study of the coverage dependence of the bonding of thiophene on Cu(111). Effects of substituents on the structure and bonding of thiophene on Cu(111)
Abstracts: A comprehensive description of chemical association effects on second derivative properties of alcohols through a SAFT-VR approach
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