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Abstracts: Theoretical study of the energetics of the reactions of triplet dioxygen with hydroquinone, semiquinone, and their protonated forms: Relation to the mechanism of superoxide generation in the respiratory chain
Abstracts: Theoretical study of the enol imine <-> enaminone tautomeric equilibrium in organic solvents. Theoretical studies of the tautomeric equilibria for five-member N-heterocycles in the gas phase and in solution
Abstracts: Theoretical study of the excited states of chlorin, bacteriochlorin, pheophytin a, and chlorophyll a by the SAC/SAC-CI method
Abstracts: Theoretical study of the influence of monomer excess on the structure and properties of polyaniline oligomers
Abstracts: Theoretical study of the mechanisms of ethylene polymerization with metallocene-type catalysts. Derivation of an optimized potential model for phase equilibria (OPPE) for sulfides and thiols
Abstracts: Theoretical study of the methyl transfer in guanidinoacetate methyltransferase. Methyl transfer in glycine N-methyltransferase. A theoretical study
Abstracts: Theoretical study of the scalar coupling constants across the noncovalent contacts in RNA base pairs: the cis- and trans-Watson-Crick/sugar edge base pair family
Abstracts: Theoretical study of the structure and spectroscopic properties of cobalt(II) coordinated to six-rings in zeolites
Abstracts: Theoretical study of volume changes accompanying xenon-lysozyme binding: Implications for the molecular mechanism of pressure reversal of anesthesia
Abstracts: Theoretical study on compound I formation in monooxygenation mechanism by cytochrome P450. ONIOM studies of chemical reactions on carbon nanotube tips: effects of the Lower theoretical level and mutual orientation of the reactants
Abstracts: Theoretical study on electronic and solvent reorganization associated with a charging process of organic compounds. 2. A new decomposition procedure into electrostatic and nonelectrostatic responses
Abstracts: Theoretical study on mesogenic core structure of nematic liquid crystalline compounds. Chiral molecule motors ignited by femtosecond pump-dump laser pulses
Abstracts: Theoretical study on reactions of nitroethylene with the Si(100)-2 by 1 surface. [C.sub.59]Si on the monohydride Si(100):H-(2x1) surface
Abstracts: Theoretical study on spins alignments in ferromagnetic heterospin chains with competing exchange interactions: A generalized ferrimagnetic system containing organic biradicals in the singlet ground state
Abstracts: Theoretical study on the dehydrogenation reaction of alkanes catalyzed by zeolites containing nonframework gallium species
Abstracts: Theoretical study on the electronic spectrum and the origin of remarkably large third-order nonlinear optical properties of organoimide derivatives of hexamolybdates
Abstracts: Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA
Abstracts: Theoretical study on the topochemical nature in the initiation process of the solid-state thermal isomerization reaction of methyl 4-(dimethylamino)benzenesulfonate
Abstracts: Theoretical treatment of scan time dependent optical bands of single molecule embedded in polymer or glass. Free volume concept in application to folding kinectics of random heteropolymers
Abstracts: The orientation parameters for energy transfer in restricted geometries including block copolymer interfaces: A Monte Carlo study
Abstracts: The origin of electrochemical promotion in heterogeneous catalysis: photoelectron spectroscopy of solid state electrochemical cells
Abstracts: The origin of photoluminescence from alpha-sexithienyl thin films. Femtosecond differential transmission spectroscopy of alpha-sexithienyl thin film at low temperature
Abstracts: The origin of surface stress induced by adsorption of iodine on gold. Unequal-sphere packing model for simulation of the uniaxially compressed iodine adlayer on Au(111)
Abstracts: The origin of time-resolved emission spectra (TRES) changes of 4-aminophthalimide (4-AP) in SDS micelles. The role of the hydrogen bond between 4-AP and water present in micelles
Abstracts: Theory and application. Photorefractive properties of poly(siloxane)-triarylamine-based composites for high-speed applications
Abstracts: Theory. Electron tunneling across hexadecanethiolate monolayers on mercury electrodes: reorganization energy, structure, and permeability of the alkane/water interface
Abstracts: Theory of alkyl-terminated silicon quantum dots. Density functional theory study of one-dimensional growth of styrene on the hydrogen-terminated Si(001)-(3x1) surface
Abstracts: Theory of anodic stripping voltammetry at wall-jet electrodes. Simulation of spatially differential stripping and redeposition phenomena
Abstracts: Theory of electric conductance of DNA molecule. Theoretical rate constants of super-exchange hole transfer and thermally induced hopping in DNA
Abstracts: Theory of excitation energy transfer in the intermediate coupling case of clusters. Nanosecond dynamics of single polypeptide molecules revealed by photoemission statistics of fluorescence resonance energy transfer: A theoretical stud
Abstracts: Theory of ionic hydration: insights from molecular dynamics simulations and experiment. Molecular dynamics studies of a dipole in liquid dioxanes
Abstracts: Theory of methane dehydrogenation on Pt{110}(1*2). part 1: Chemisorption of CHx (x=0-3). NO chemisorption and reactions on metal surfaces: A new perspective
Abstracts: Theory of methane dehydrogenation on Pt{110}(1*2). part II: microscopic reaction pathways for CHx -> Ch(sub x-1) (x=1-3)
Abstracts: Theory of rapid excitation-energy transfer from B800 to optically-forbidden exciton states of B850 in the antenna system LH2 of photosynthetic purple bacteria
Abstracts: Theory of retention in reversed phase liquid chromatography with ternary mobile phases. Thermodynamic modeling of the phase behavior of binary systems of ionic liquids and carbon dioxide with the group contribution equation of state
Abstracts: Theory of self-assembled tubules and helical ribbons. Structure-property correlations in model compounds of oligomer liquid crystals
Abstracts: Theory of thin layer photoacoustic cells for determination of volume changes in solution. Elastic and inelastic electron tunneling in alkane self-assembled monolayers
Abstracts: Theory. Ultrafast phase grating studies of heme proteins: observation of the low-frequency modes directing functionally important protein motions
Abstracts: The packing of triacylglycerols from SAXS measurements: application to the structure of 1,3-distearoyl-2-oleoyl-sn-glycerol crystal phases
Abstracts: The packing of triacylglycerols from SAXS measurements: application to the structure of 1,3-distearoyl-2-oleoyl-sn-glycerol crystal phases. part 2
Abstracts: The pH within PFPE reverse micelles formed in supercritical CO2. Molecular dynamics simulations of the interior of aqueous reverse micelles
Abstracts: The physicochemical origins of coincident epitaxy in molecular overlayers: lattice modeling vs potential energy calculations
Abstracts: The potential distribution at the semiconductor/solution interface. The growth kinetics of TiO2 nanoparticles from titanium(IV) alkoxide at high water/titanium ratio
Abstracts: The Poulos-Kraut mechanism of compound I formation in horseradish peroxidase: A QM/MM study. Photodissociation of the CO complex of horseradish peroxidase studied by laser-induced optoacoustic spectroscopy
Abstracts: The preparation and structure of platinum metal nanosheets between graphite layers. A temperature and electrochemical impedance spectroscopy analysis of nickel electro-crystallization from a Watts solution
Abstracts: The presolvated electron in water: can it be scavenged at long range?. Dynamics of water near a protein surface
Abstracts: The pressure- and temperature-induced wetting transitions in the binary water + ethylene glycol monoisobutyl mixture
Abstracts: The principles of alpha-helix formation: explaining complex kinetics with nucleation-elongation theory. The helix-coil kinetics of a heteropeptide
Abstracts: The promise of peptides. An eventful month. Fifty years in pharma chemistry
Abstracts: The promise of peptides. High-yield protein production with special E. coli strains. Organic growth in Europe
Abstracts: The proximal hydrogen-bonded residue controls the stability of the compound II intermediate of peroxidases and catalases
Abstracts: The quinone acceptor A1 in Photosystem I: binding site, and comparison to Q(sub A) in purple bacteria reaction centers
Abstracts: The reactivity of all-metal aromatic complexes: A theoretical investigation on the methane activation reaction
Abstracts: The red-absorbing chlorophyll a antenna states of photosystem I: a hole-burning study of Synechocystis sp. PCC 6803 and its mutants
Abstracts: The relationship between the surface composition and electrical properties of corrosion films formed on carbon steel in alkaline sour medium: An XPS and EIS study
Abstracts: The relaxation dynamics of a supercooled liquid confined by Rough Walls. Conformational analysis of poly(di-n-butylsilane), poly(di-n-hexysilane), and poly(methyl-n-propylsilane) by a rotational siomeric state scheme with molecular dynamics simulations
Abstracts: Thermal and ion-induced surface reactions of 1,1-difluoroethylene on Si (111) 7X7 and vitreous SiO2. Fluorescence of photochromic 1,2-bis(3-methyl-2-thienyl)ethene
Abstracts: Thermal behavior and association properties of polystyrene-b-poly(ethylene/butylene)-b-polystyrene triblock copolymer in N-octane/4-methyl-2-pentanone solutions
Abstracts: Thermal behavior of polyelectrolyte multilayer microcapsules: 2. Insight into molecular mechanisms for the PDADMAC/PSS system
Abstracts: Thermal characterization and sensor application of one-dimensional nanostructures employing microelectromechanical system
Abstracts: Thermal chemistry of 1-methyl-1-cyclopentene and methylene cyclopentane on Pt(111) surfaces: Evidence for double-bond isomerization
Abstracts: Thermal chemistry of 2-propanol and 2-propyl iodide on clean and oxygen-pretreated Ni(100) single-crystal surfaces
Abstracts: Thermal chemistry of C3 metallacycles on Pt(111) surfaces. Thermal chemistry of C3 allyl groups on Pt(111). Effect of coadsorbed oxygen on the chemistry of ammonia over Ni(110) single-crystal surfaces
Abstracts: Thermal chemistry of C4 hydrocarbons on Pt(111): Mechanism for double-bond isomerization. Thermal chemistry of C3 allyl groups on Pt(111)
Abstracts: Thermal chemistry of styrene on Si(100)2x1 and modified surfaces: Electron-mediated condensation oligomerization and posthydrogenation reactions
Abstracts: Thermal chemistry of trimethyl acetic acid on TiO2(110). Thermal and photochemistry of tert-butyl iodide on rutile TiO2(110)
Abstracts: Thermal, conductivity, NMR, and Raman spectroscopic measurements and phase diagram of the Cs2S2O7-CsHSO4 system
Abstracts: Thermal, conductivity, NMR, and Raman spectroscopic measurements and phase diagram of the Cs2S2O7-CsHSO4 system. part 2
Abstracts: Thermal decomposition of carbon precursors in decorated AFI zeolite crystals. Carbon nanotube formation and growth via particle-particle interaction
Abstracts: Thermal decomposition of HSCH(sub 2)CH(sub 2)OH on Cu(111): Identification and adsorption geometry of surface intermediates
Abstracts: Thermal deposition of glycidyl azide polymer studied by synchrotron photoionization mass spectrometry. Characterization of heterogeneously functionalized dendrimers by mass spectrometry and EPR spectroscopy
Abstracts: Thermal diffusion of C(sub 60) molecules and clusters on Au(111). Stability of aliphatic dithiocarboxyclic acid self-assembled monolayers on gold
Abstracts: Thermal evolution of acetic acid nanodeposits over 123-180 K on nanocrystalline ice and polycrstalline ice studied by FTIR reflection-absorption spectroscopy: Hydrogen-bonding interactions in acetic acid and between acetic acid and ice
Abstracts: Thermal evolution of carbon-supported Pd nanoparticles studied by time-resolved X-ray diffraction. Thermal evolution of acetylene overlayers on pd(111)
Abstracts: Thermal flux through a surface of n-octane. A non-equilibrium molecular dynamics study. A simple correlation-corrected Poisson-Boltzmann theory
Abstracts: Thermally induced solid-state phase transition of bis(triisopropylsilylethynyl) pentacene crystals. Polymer-induced microstructure variation in zinc crystals percipitated from aqueous solution
Abstracts: Thermally stable blue emitting terfluorene block copolymers. Molecular simulation of excimer fluorescence in polystyrene and poly(vinylcarbazole)
Abstracts: Thermally stable luminescent composites fabricated by confining rare earth complexes in the two-dimensional gallery of Titania nanosheets and their photophysical properties
Abstracts: Thermal offset viscosities of liquid H2O, D2O, and T2O. Solvent properties of liquid and supercritical hydrofluorocarbons
Abstracts: Thermal/photo conversion of silver 4-nitrobenzoate to nitro-amine-terminated silver nanoparticles. Effect of Ag and Au nanoparticles on the SERS of 4-aminobenzenethiol assembled on powder copper
Abstracts: Thermal properties and mixing state of ethylene glycol-water binary solutions by calorimetry, large-angle X-ray scattering, and small-angle neutron scattering
Abstracts: Thermal properties of metastable ice XII. Raman spectroscopic study on hydrogen bonding in recovered ice IV. Novel method to detect the volumetric glass -> liquid transition at high pressures: Glycerol as a test case
Abstracts: Thermal reshaping of gold nanorods in micelles. Spectral properties and relaxation dynamics of surface plasmon electronic oscillations in gold and silver nanodots and nanorods
Abstracts: Thermal solid-state reaction of methyl p-dimethylaminobenzenesulfonate to p-trimethylammoniumbenzenesulfonate zwitterion: optical crystallographic studies
Abstracts: Thermal spreading of MoO3 onto silica supports. Solution-based chemical synthesis of boehmite nanofibers and alumina nanorods
Abstracts: Thermal stability and reactivity of metal halide filled single-walled carbon nanotubes. Hydrogen bonding pathways in human dihydroorotate dehydrogenase
Abstracts: Thermal stability and thermodynamic properties of hybrid proton-conducting polyaryl etherketones. Dehydrogenation of a combined LiAlH4/LiNH2 system
Abstracts: Thermal stability of cubic nitride films deposited by chemical vapor deposition. Characterization of amorphous hydrogenated carbon formed by low-pressure inductively coupled plasma enhanced chemical vapor deposition using multiple low-inductance antenna units
Abstracts: Thermal stability of Humicola insolens cutinase in aqueous SDS. Competitive adsorption at the air-water interface from a self-assembling polymer-surfactant mixture
Abstracts: Thermal stability of ocatadecylsilane monolayers on silica: Curvature and free volume effects. A novel route toward the synthesis of high-quality large-pore periodic mesoporous organosilicas
Abstracts: Thermal stability of the solidlike and liquidlike phases of (C60)(sub n) clusters. Reversible, band-gap-selective protonation of single-walled carbon nanotubes in solution
Abstracts: Thermal transformations and stability of organometallic materials with electrical and optical properties: The case of polycrystalline cis-[Ir(CO)(sub 2)Cl(C(sub 5)H(sub 5)N)]
Abstracts: Thermal wetting of platinum nanocrystals on silica surface. Morphology of nanostructured platinum in mesoporous material-effect of solvent and intrachannel surface
Abstracts: Thermoanalysis and emission properties of Eu3+/Eu2+ in Eu3+-doped xerogels. Control analysis of stationary forced oscillations
Abstracts: Thermoassociative Graft Copolymers: NMR Investigation and Comparison with Rheological Behavior. (Super 19) F NMR investigation of mixed surfactants partitioning and kinetic stability of fluorinated nanodroplets in water
Abstracts: Thermochemical hole burning on a series of N-substituted morpholinium 7,7,8,8-tetracyanoquinodimethane charge-transfer complexes for data storage
Abstracts: Thermochemical hole burning on a triethylammonium bis-7,7,8,8-tetracyanoquinodimethane charge-transfer complex using single-walled carbon nanotube scanning tunneling microscopy tips
Abstracts: Thermochemical hole burning on DPA(TCNQ)2 and MEM(TCNQ)2 charge transfer complexes using a scanning tunneling microscope
Abstracts: Thermochemistry and kinetics of silicon hydride cluster formation during thermal decomposition of silane. Influence of the silane modifiers on the surface thermodynamic characteristics and dispersion of the silica into elastomer compounds
Abstracts: Thermochemistry of pure-silica zeolites. Entropy of pure-silica molecular sieves. In situ calorimetric, structural, and compositional study of zeolite synthesis in the system 5.15Na2O-1.00A12O3-3.28SiO2-165H20
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