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Abstracts: Competing magnetic interactions in a dinuclear Ni(II) complex: Antiferromagnetic O-H...O moiety and ferromagnetic N3-ligand
Abstracts: Competition and coadsorption of di-acids and carboxylic acid solvents on HOPG. Electronic and geometric properties of Au nanoparticles on Highly Ordered Pyrolytic Graphite (HOPG) studied using X-ray Photoelectron Spectroscopy (XPS) and scanning Tunneling Microscopy (STM)
Abstracts: Competition and symbiosis in a chemical world. Two-sites molecules as a road for engineering complexity in chemical systems
Abstracts: Competition between atmospherically relevant fatty acid monolayers at the air/water interface. Effects of nanostructure on catalytic degradation on ethanol on SrCo(sub 3) catalysts
Abstracts: Competition between energy and proton transfer in ultrafast excited-state dynamics of an oligomeric fluorescent protein red Kaede
Abstracts: Competition between intramolecular hydrogen bonds and solvation in phosphorylated peptides: Simulations with explicit and implicit solvent
Abstracts: Competition between the effects of asymmetries in ion diameters and charges in an electrical double layer studied by Monte Carlo simulations and theories
Abstracts: Competition between Wolff rearrangement and 1,2-hydrogen shift in beta-oxy-alpha-ketocarbenes: electrostatic and specific solvent effects
Abstracts: Competitive hydrolytic and elimination mechanisms in the urease catalyzed decomposition of urea. Theoretical calculations of refractive indices and optical effects in spectra of nitric acid and nitric acid monohydrate crystals
Abstracts: Complementary analysis of peptide aggregation by NMR and time-resolved laser spectroscopy. Membrane curvature change induced by an antimicrobial peptide detected by (super 31)P exchange NMR
Abstracts: Complementary analysis of thermal transition multiplicity of hen egg-white lysozyme at low pH using X-ray scattering and scanning calorimetry
Abstracts: Complete assignment of 13C NMR spectra and determination of orientational order parameter for antiferroelectric liquid-crystalline MHPOBC
Abstracts: Complete assignment of (super 1)H NMR spectra and structural analysis of intact bacteriochlorophyll c dimer in solution
Abstracts: Complexation of phosphine ligands with peracetylated [beta]-cyclodextrin in supercritical carbon dioxide: Spectroscopic determination of equilibrium constants
Abstracts: Complexation of polyethers in cation exchange resin and application to chromatographic determination of complexation constants in solution
Abstracts: Complexation of pyrene by poly(allylamine) with pendant beta-cyclodextrin side groups. Preparation and characterization of inclusion complexes of poly(propylene glycol) with methylated cyclodextrins
Abstracts: Complexes of polyelectrolyte-neutral double hydrophilic block copolymers with oppositely charged surfactant and polyelectrolyte
Abstracts: Complex formation between rhodamaine B and poly(sodium 4-styrenesulfonate) studied by [super.1.H]-NMR. Cationic thionin blue in the channels of zeolite mordenite: A single-crystal X-ray study
Abstracts: Complex formation in solutions of oppositely charged polyelectrolytes at different polyion compositions and salt content
Abstracts: Complex nature of the UV and visible fluorescence of colloidal ZnO nanoparticles. Diffusion and viscosity in a crowded environment: From nano-to macroscale
Abstracts: Complex phase behavior in aqueous solutions of poly(ethylene oxide)-poly(ethylethylene) block copolymers. Comparing the morphology and phase diagram of H-shaped ABC block copolymers and linear ABC block copolymers
Abstracts: Complex polyion-surfactant ion salts in equilibrium with water: Changing aggregate shape and size by adding oil
Abstracts: Composite polyether electrolytes with Lewis acid type additives. Chain mobility and cation coordination in the polymer electrolytes M(N(CF3SO2)2)PEOn with M = Mg, Ca, Sr, and Ba
Abstracts: Composite thermal conductivity in a large heterogeneous porous methane hydrate sample. Modeling heating curve for gas hydrate dissociation in porous media
Abstracts: Compositional gradients and electron flux in ion-blocked multivalent redox polymers and polymer bilayers: a theoretical consideration
Abstracts: Composition and structure of the alpha-AlF(sub 3)(0001) surface. An ab initio study of hydrogen absorption on ZnO(101[super -]0)
Abstracts: Comprehensive global energy minimum modeling of the sarin-serine adduct. Structural and energetic characterization of a DNA nucleoside pair and its anion: Deoxyriboadenosine (dA)-deoxyribothymidine (dT)
Abstracts: Compressed atoms. Spherical double electriclayer structure and unprecedented high stability of the P20O20 cage and its anionic endohedral complex Na-@P(sub 20)O(sub 20).
Abstracts: Computational analysis of the proton translocation from Asp96 to Schiff base in bacteriorhodopsin. Atomic-scale mechanism of the GTP -> GDP hydrolysis reaction by the Gi(alpha)1 protein
Abstracts: Computational and experimental approach to the role of structure-directing agents in the synthesis of zeolites: The case of cyclohexyl alkyl pyrrolidinium salts in the synthesis of beta, EU-1, ZSM-11 and ZSM-12 zeolites
Abstracts: Computational and experimental study of the cyclic voltammetry response of partially blocked electrodes. part 1. nonoverlapping, uniformly distributed blocking systems
Abstracts: Computational determination of aqueous pK(sub a) values of protonated benzimidazoles (part 1). Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission
Abstracts: Computational electrochemistry simulations of homogenous chemical reactions in the confluence reactor and channel flow cell
Abstracts: Computational investigation of adsorption of molecular hydrogen on lithium-doped corannulene. Theoretical analysis of oxygen adsorption on Pt-based clusters alloyed with Co, Ni, or Cr embedded in a Pt matrix
Abstracts: Computational investigation of order, structure, and dynamics in modified water models. Density of salt solutions: effect of ions on the apparent density of water
Abstracts: Computational model of hole transport in DNA. A molecular dynamics calculations of hole transfer rates in DNA strands
Abstracts: Computational observation of enhanced solvation of the hydroxyl radical with increased NaCl concentration. Comment on "computational studies of enzyme-catalyzed reactions: Where are we in predicting mechanisms and in undertaking the nature of enzyme catalysis"
Abstracts: Computational prediction of absorbance maxima for a structurally diverse series of engineered green fluorescent protein chromophores
Abstracts: Computational study of Benzene-to-Phenol oxidation catalyzed by N2O on iron-exchanges ferrierite. Sizing of cylindrical pores by nitrogen and benzene vapor adsorption
Abstracts: Computational study of p-xylene/m-xylene mixtures adsorbed in NaY zeolite. Monte Carlo simulation of sorption equilibria for nitrogen and oxygen on LiLSX zeolite
Abstracts: Computational study of the dynamics of mannose disaccharides free in solution and bound to the potent anti-HIV virucidal protein cyanovirin
Abstracts: Computational study of the structural and electronic properties of dopant ions in microporous A1POs. 1. Acid catalytic activity of divalent metal ions
Abstracts: Computational study of the structure and behavior of aqueous mixed system sodium unsaturated carboxylate-dodecyltrimethylammonium bromide
Abstracts: Computational study of the structure, dynamics, and photophysical properties of conjugated polymers and oligomers under nanoscale confinement
Abstracts: Computation of the structure-dependent pKa shifts in a polypentapeptide of the poly[fv(IPGVG),fe(IPGEG)] family
Abstracts: Computation of unstable binodals not requiring concentration derivatives of the Gibbs energy. Non-Bornian theory of the Gibbs energy of ion transfer between two immiscible liquids
Abstracts: Computation of unstable binodals not requiring concentration derivatives of the Gibbs energy. part 2 Analytical free energy minimization of silica polymorphs
Abstracts: Computer-aided design and experimental application of a novel electrochemical cell: the confluence reactor. Mechanistic analysis of electrochemical oscillators using derivative feedback control techniques
Abstracts: Computer simulation investigation of the water-benzene interface in a broad range of thermodynamic states from ambient to supercritical conditions
Abstracts: Computer simulation of cosolvent effects on hydrophobic hydration. Dynamical behavior of anion-water and water-water hydrogen bonds in aqueous electrolyte solutions: a molecular dynamics study
Abstracts: Computer simulation of the interaction of Cu(I) with Cys residues at the binding site of the yeast metallochaperone Cu(I)-Atx1
Abstracts: Computer simulation of the ionic atmosphere around Z-DNA. Conformational change detection of DNA with the fluorogenic reagent of o-phthaladehyde-[beta]-mercaptoethanol
Abstracts: Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation: II: Local fields effects and optical susceptibilities
Abstracts: Computer simulation of the surface free energy of the Si(100) surface and the line free energies associated with steps on this surface
Abstracts: Computer simulations and analysis of structural and energetic features of some crystalline energetic materials
Abstracts: Computer simulation studies of equilibrium properties in CS2/C6H6 liquid mixtures. Ultrafast dynamics in microemulsions: Optical Kerr effect study of the dispersed oil phase in a carbon disulfide-dodecyltrimethylammonium bromide-water microemulsion
Abstracts: Computer simulation studies of finite temperature conformational equilibrium in alanine-based peptides. ENDOR determined structure of a complex of alpha-chymotrypsin with a spin-labeled transition-state inhibitor analogue
Abstracts: Computer simulation studies on the polymer-induced modification of water properties in polyacrylamide hydrogels
Abstracts: Computer Simulation Study of tert-Butly Alcohol. 2.Structure in Aqueous solution. Temperature and concentration effects on Li(super +)-ion hydration. A molecular dynamics simulation study
Abstracts: Computer studies on the effects of long chain alcohols on sodium dodecyl sulfate (SDS) molecules in SDS/dodecanol and SDS/hexadecanol monolayers at the air/water interface
Abstracts: Computing kinetic isotope effects for chorismate mutase with high accuracy. A new DFT/MM strategy. Structure of Ice-VII and Ice-VIII: A quantum mechanical study
Abstracts: Concentration and chainlength dependence of the diffusivity of alkanes in zeolites studied with MD simulations
Abstracts: Concentration polarization-based nonlinear electrokinetics in porous media: Induced-charge electroosmosis. New evidence of confinement effects in mesoporous materials and the definition of confined pitzer acentric factors
Abstracts: Concise route to functionalized carbon nanotubes. Actuator based on MWNT/PVA hydrogels. Facile route to synthesize multiwalled carbon nanotube/zinc sulfide heterostructures: Optical and electrical properties
Abstracts: Condensed-phase relaxation of multilevel quantum systems. II. Comparison of path integral calculations and second-order relaxation theory for a nondegenerate three-level system
Abstracts: Condensed-phase transitions during effusion of gallium selenide. Enthalpy of formation of gallium nitride
Abstracts: Conditions under which heterogeneous charge-transfer rate constants can be extracted from transient photoluminescence decay data of semiconductor/liquid contacts as determined by two-dimensional transport modeling
Abstracts: Conducting polymers as antennas for probing biophysical activities. Single-walled carbon nanotube binding peptides: probing tryptophan's importance by unnatural amino acid substitution
Abstracts: Conduction and valence band positions of Ta2O5, TaON, and Ta3N5 by UPS and electrochemical methods. A study of mechano-catalysts for overall water splitting
Abstracts: Conductive effect of gold nanoparticles encapsulated inside polyamidoamine (PAMAM) dendrimers on electrochemistry of myoglobin (Mb) in [{PAMAM-Au/Mb}.sub.n] layer-by-layer films
Abstracts: Conductivity and dielectric response in the ion-exchange intercalated mono- and double-layer hydrates Cd0.75PS3Na0.5(H2O)y, y = 1,2
Abstracts: Conductivity, density, and adiabatic compressibility of dodecyldimethylbenzylammonium chloride in aqueous solutions
Abstracts: Conductivity of a confined polymer electrolyte: lithium-polypropylene glycol intercalated in layered CdPS3. Anionic clays containing anti-inflammatary drug molecules: Comparison of molecular dynamics simulation and measurements
Abstracts: Conductivity of ZnO nanowires, nanoparticles, and thin films using time-resolved terahertz spectroscopy. In situ studies of phase transitions in thin discotic films
Abstracts: Conductivity, thermal measurements, and phase diagram of the Na2S2O7-NaHSO4 system. Conductivity, thermal measurements, X-ray investigations, and phase diagram of the Na2S2O7-K2S2O7 system
Abstracts: Configurational entropies of lipids in pure and mixed bilayers from atomic-level and coarse-grained molecular dynamics simulations
Abstracts: Configurational properties of water clathrates: Monte Carlo and multidimensional integration versus the Lennard-Jones and Devonshire approximation
Abstracts: Configurations of benzene and pyridine molecules adsorbed on graphitic surface of microporous carbon. Adlayer structures of benzene and pyridine molecules on Cu(100) in solution by ECSTM
Abstracts: Confined space-controlled olefin-oxygen charge transfer in zeolites. Molecular structure, spin density distribution, and hyperfine coupling constants of the eta(super 1){CuNO}(super 11) adduct in the ZSM-5 zoelite: DFT calculations and comparison with EPR data
Abstracts: Confinement effects at the external surface of delaminated zeolites (ITQ-2): An inorganic mimic of cyclodextrins
Abstracts: Confinement-induced phase behavior and adsorption regulation of ionic surfactants in the aqueous film between charged solids
Abstracts: Confocal Raman observation of the efflorescence/deliquescence processes of individual NaN[O.sub.3] particles on quartz
Abstracts: Conformational analysis of alanine dipepetide from dipolar couplings in a water-based liquid crystal. Determination of long-range dipolar couplings using mono-deuterated liquid crystals
Abstracts: Conformational analysis of (phenylenedimethylene)bis(n-octylammonium)dibromides in aqueous solution. Conformational change upon micellization
Abstracts: Conformational and orientational guidance of the analgesic dipeptide kyotorphin induced by lipidic membranes: Putative correlation toward receptor docking
Abstracts: Conformational changes in FmetHbS probed with UV resonance Raman and fluorescence spectroscopic methods. Structure of sickle cell hemoglobin fibers probed with UV resonance Raman spectroscopy
Abstracts: Conformational dynamics of trialanine in water.2.Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments
Abstracts: Conformational equilibrium of 1,2-dichloroethane in water: Comparison of PCM and RISM-SCF methods. Evidence for a diffuse interfacial region at the dichloroethane/water interface
Abstracts: Conformational equilibrium of Bis(trifluoromethanesulfonyl) imide anion of a room-temperature ionic liquid: Raman spectroscopic study and DFT calculations
Abstracts: Conformational equilibrium of terminally blocked single amino acids at the water-hexane interface. A molecular dynamics study
Abstracts: Conformationally averaged score functions for electronic propagation in proteins. Worn model for electron tunneling in proteins: consolidation of the pathway model and the Dutton plot
Abstracts: Conformational polymorphism and thermochemical analysis of 5,5'''-bis[(2,2,5,5-tetramethyl-1-aza-2,5-disila-1-cyclopenthyl)ethyl]-2,2':5',2":5",2"'-quaterthiophene
Abstracts: Conformational preferences of praline analogues with different ring size. Which functional form is appropriate for hydrogen bond of amides?
Abstracts: Conformational preferences of proline oligopeptides. Conformational preferences of non-prolyl and prolyl residues
Abstracts: Conformational preferences of pseudoproline residues. Conformational preferences and cis-trans isomerization of azaproline residue
Abstracts: Conformational preferences of pseudoproline residues. Dependence upon basis sets of trans hydrogen-bond (super 13)C-(super 15)N 3-bond and other scalar J-couplings in amide dimers used as peptide models. A density functional theory study
Abstracts: Conformational selectivity of peptides for single-walled carbon nanotubes. pH-dependent stability of decalysine alpha-helix studied by explicit-solvent molecular dynamics simulations at constant pH
Abstracts: Conformational transition pathway of polymerase beta/DNA upon binding correct incoming substrate. Fluorescence spectroscopic studies of solvent- and temperature-induced conformational transition in segmented poly[2-methoxy-5-(2'-ethyhexyl)oxy-1,4-phenylenevinylene] (MEHPPV)
Abstracts: Conformation and solvation structure for an isolated n-octadecane chain in water, methanol and their mixtures
Abstracts: Conformation-dependent binding of diheptanoylphosphatidylcholine by cyclodextrins as revealed by proton nuclear magnetic resonance
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