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Abstracts: Molecular dynamics simulation of a polyunsaturated lipid bilayer susceptible to lipid peroxidation. Hydrogen bonding structure and dynamics of water at the dimyristolyphosphatidylcholine lipid bilayer surface from a molecular dynamics simulation
Abstracts: Molecular dynamics simulation of a Zif268-DNA complex in water. Spatial patterns and fluctuations sensed from a nanosecond trajectory
Abstracts: Molecular dynamics simulation of hydrogen fluoride mixtures with 1-ethyl-3-methylimidazolium fluoride: A simple model for the study of structural features
Abstracts: Molecular dynamics simulation of liquid 2-heptanone, pure and saturated with water. Molecular simulation of the interface between two immiscible electrolyte solutions
Abstracts: Molecular dynamics simulation of liquid sulfur dioxide. A microfluidic channel flow cell for electrochemical ESR
Abstracts: Molecular dynamics simulation of liquid water confined inside graphite channels: Dielectric and dynamical properties
Abstracts: Molecular dynamics simulation of monoalkyl glycoside micelles in aqueous solution: Influence of carbohydrate headgroup stereochemistry
Abstracts: Molecular dynamics simulation of nanostructural organization in ionic liquid/water mixtures. A multistate empirical valence bond approach to a polarizable and flexible water model
Abstracts: Molecular dynamics simulation of solvent reorganization in ion transfer reaction near a smooth and corrugated surface
Abstracts: Molecular dynamics simulation of the cyclic decapeptide antibiotic, Gramicidin S, in dimethyl sulfoxide solution
Abstracts: Molecular dynamics simulation of the kinetics of spontaneous micelle formation. Molecular dynamics simulations of dodecylphosphocholine micelles at three different aggregate sizes: micellar structure and chain relaxation
Abstracts: Molecular dynamics simulation of the structural and dynamic properties of dioctadecyldimethyl ammoniums in organoclays
Abstracts: Molecular dynamics simulations and thermodynamic modeling of the self-assembly of the triterpenoids asiatic acid and madecassic acid in aqueous solution
Abstracts: Molecular dynamics simulations applied to electric field induced second harmonic generation in dipolar chromophore solutions
Abstracts: Molecular dynamics simulations for pure epsi-CL-20 and epsi-Cl-20-based PBXs. Electronic, structural, and optical properties of conjugated polymers based on carbazole, fluorine, and borafluorene
Abstracts: Molecular dynamics simulations of a phospholipid-detergent mixture. An improved empirical potential energy function for molecular simulations of phospholipids
Abstracts: Molecular dynamics simulations of biotin in aqueous solution. Different weak C-H. . . O contacts in N-methylacetamide-water system: molecular dynamics simulations and NMR experimental study
Abstracts: Molecular dynamics simulations of dendritic polyelectrodes with flexible spacers in salt free solution. Aggregates of polymer-substituted fullerenes
Abstracts: Molecular dynamics simulations of GlpF in micelle vs in a bilayer: Conformational dynamics of a membrane protein as a function of environment
Abstracts: Molecular dynamics simulations of lithium alkyl carbonates. Conformational and structural properties. [Li.sup.+] cation environment, and mechanical properties of the LiTFSI doped N-methyl-N-alkylpyrrolidium[.sup.+.T]FS[I.sup.-] ionic liquids
Abstracts: Molecular dynamics simulations of lithium alkyl carbonates. Dynamical properties. Passive transport of [C.sub.60] fullerenes through a lipid membrane: a molecular dynamics simulation study
Abstracts: Molecular dynamics simulations of Na2Si4O9 liquid at high pressure. The distribution and conformation of very long-chain plant wax components in a lipid bilayer
Abstracts: Molecular dynamics simulations of neutral chlorpromazine in zwitterionic phospholipid monolayers. Molecular-level control of the photoluminescence from PPV nanostructure films
Abstracts: Molecular dynamics simulations of PAMAM dendrimer-induced pore formation in DPPC bilayers with a coarse-grained model
Abstracts: Molecular dynamics simulations of particle bombardment induced desorption processes: alkanethiolates on Au(111)
Abstracts: Molecular dynamics simulations of phospholipid bilayers: Influence of artificial periodicity, system size, and simulation time
Abstracts: Molecular dynamics simulations of polyelectrolyte-polyampholyte complexes: Effect of solvent quality and salt concentration
Abstracts: Molecular dynamics simulations of staphylococcal nuclease: Properties of water at the protein surface. Sequential collapse folding pathway of staphylococcal nuclease: entropic activation barriers to hydrophobic collapse of the protein core
Abstracts: Molecular dynamics simulations of ternary membrane mixture: phosphatidylcholine, phosphatidic acid, and cholesterol
Abstracts: Molecular dynamics simulations of the phosphodiester-linked repeating units of the Haemophilus influenzae types c and f capsular polysaccharides
Abstracts: Molecular dynamics simulations of the solvation of coumarin 153 in a mixture of an alkane and an alcohol. Solvation dynamics of coumarin 480 in vesicles
Abstracts: Molecular dynamics simulations of the structures of alkane/hydroxylated alpha-A12O3(0001) interfaces. Role of the surface site in the kinetics of H atom association with diamond surfaces
Abstracts: Molecular dynamics simulations of water at NaCl(001) and NaCl(011) surfaces. Revised implicit solvent model for the simulation of surfactants in aqueous solutions
Abstracts: Molecular dynamics simulations of water with novel shell-model potentials. Brute-force molecular dynamics simulations of Villin headpiece: comparison with NMR parameters
Abstracts: Molecular dynamics simulation study of motions and interactions of water in a polymer network. In situ monitoring of chemical reactions in and molecular dynamics of model compounds by dielectric relaxation spectroscopy
Abstracts: Molecular dynamics simulation study of superhydrated perdeuterated natrolite using a new interaction potential model
Abstracts: Molecular dynamics solutions of 1,2-dimethoxyethane in aqueous solution: influence of the water potential. Water-soluble CdS quantum dots prepared from a refluxing single precursor in aqueous solution
Abstracts: Molecular dynamics studies of a dipole in liquid dioxanes. Perturbations of simple oscillations and complex dynamics in the peroxidase-oxidase reaction using magnetic fields
Abstracts: Molecular dynamics studies of ion distributions for DNA duplexes and DNA clusters: Salt effects and connection to DNA melting
Abstracts: Molecular dynamics studies of the phase transitions of homopolymers of p-hydrobenzoic acid. A Monte Carlo simulation of the aggregation, phase-separation, and gelation of model globular molecules
Abstracts: Molecular dynamics studies of the stability of water/n-heptane interfaces with adsorbed naphthenic acids. Molecular dynamics study of the molecular weight dependence of surface tensions of normal alkanes and methyl methacrylate oligomers
Abstracts: Molecular dynamics study of hydrated faujasite-type zeolites. Intensities of the vibrational spectra of siliceous zeolites by molecular dynamics calculations. I. Infrared spectra
Abstracts: Molecular dynamics study of the active site of methylamine dehydrogenase. Peptide-TiO(sub 2) surface interaction in solution by ab initio and molecular dynamics simulations
Abstracts: Molecular dynamics study of the hydration of Lanthanum(III) and Europium(III) including many-body effects. Time effect in chemical oxidation of La2CuO4 epitaxial thin films
Abstracts: Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers. Diffusion of methanol in Zeolite NaY: A molecular dynamics study
Abstracts: Molecular dynamics study of tribological behavior of confined branched and linear perfluoropolyethers. Topological effects in electron transfer: Applications to dendrimers and branched molecules
Abstracts: Molecular dynamics study on the effect of chain branching on the physical properties of lipid bilayers: Structural stability
Abstracts: Molecular dynamics study on the glass transition in Ca0.4K0.6(NO3)(sub 1.4). Ab initio molecular dynamics simulations of NO reactivity on the CaO(001) surface
Abstracts: Molecular dynamics study on the solvent dependent heme cooling following ligand photolysis in carbonmonoxy myoglobin
Abstracts: Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid [beta] (A[beta](1-42)) monomer in aqueous solution
Abstracts: Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-Bath dynamics and tests on model alpha-helical systems
Abstracts: Molecular engineering in symmetric end-substituted oligothiophene derivatives: Analysis of condensed-phase photoemission spectra using semiemperical Hartree-Fock calculations
Abstracts: Molecular engineering in symmetric end-substituted oligothiophene derivatives: Analysis of condensed-phase photoemission spectra using semiemperical Hartree-Fock calculations. part 2
Abstracts: Molecular force field for ionic liquids III: Imidazolium, pyridinium, and phosphonium cations; Chloride, bromide, and dicyanamide anions
Abstracts: Molecular force measurement in liquids and solids using vibrational spectroscopy. Reformation of Weeks-Chandler-Anderson perturbation theory directly in terms of a hard-sphere reference system
Abstracts: Molecular hydrogels from bile acid analogues with neutral side chains: Network architectures and viscoelastic properties: Junction zones, spherulites, and crystallites: Phenomenological aspects of the gel metastability
Abstracts: Molecular insights into the heterogeneous crystal growth of sI methane hydrate. Band-gap engineering of metal oxides for dye-sensitized solar cells
Abstracts: Molecular interpretation for the solvation of poly(acrylamide)s. I. Solvent-dependent changes in the C(double bond)O stretching band region of poly(N,N-diaikylacrylamide)s
Abstracts: Molecular ionic probes: a new class of Hill reagents and their potential for nanofabrication and biometallocatalysis
Abstracts: Molecular layering effects on friction at Ni(100)/Ni(100) interfaces. Thermodynamic properties and swelling behavior of glycolipid monolayers at interfaces
Abstracts: Molecularly tunable "Organic Capacitors" at silicon/aqueous electrolyte interfaces. A cationic rubidium continuum in zeolite X
Abstracts: Molecular mechanism of ion transport in bacteriorhodopsin: insights from crystallographic, spectroscopic, kinetic, and mutational studies
Abstracts: Molecular mobility in amorphous maltose and maltitol from phosphorescence of erythrosin B. The effects of film structure and surface hydrogen on the properties of amorphous carbon films
Abstracts: Molecular mobility in supercooled trehalose. Origin of the dual structural transformation of trehalose dihydrate upon dehydration
Abstracts: Molecular modeling and experimental studies of the thermodynamic and transport properties of pyridinium-based ionic liquids
Abstracts: Molecular modeling and simulation of water near model micelles: Diffusion, rotational relaxation and structure at the hydration interface
Abstracts: Molecular modeling of crystalline oligothiophenes: Testing and development of improved force fields. Modeling of molecular packing and conformation in oligofluorenes
Abstracts: Molecular modeling of interactions between L-lysine and functionalized quartz surfaces. Molecular modeling of interactions between L-lysine and a hydroxylated quartz surface
Abstracts: Molecular modeling simulations to predict compatibility of poly(vinyl alcohol) and chitosan blends: A comparison with experiments
Abstracts: Molecular models for the intercalation of methane complexes ion montmorilonite clay. Vibrational spectra of methane clathrate hydrates from molecular dynamics simulation
Abstracts: Molecular motions of hydrogen bonded CH3CN in the zeolite chabazite: comparison of the first-principles molecular dynamics simulations with results from 1H, 2H, and 13C NMR
Abstracts: Molecular nanowires of 1 nm diameter from capillary filling of single-walled carbon nanotubes. Tuning of fluorescence in films and nanoparticles of oligophenylenevinylenes
Abstracts: Molecular orbital calculations on the protonation of hydrogen-bonded formamide chains. Implications for peptides
Abstracts: Molecular orientation and film morphology of pentacene on native silicon oxide surface. Fabrication and characterization of pure and well-aligned carbon nanotubes using methane/nitrogen-ammonia plasma
Abstracts: Molecular orientation in vacuum-deposited peralkyloligosilane thin films. Annealing-induced molecular reorientation in oligosilane thin films
Abstracts: Molecular orientation of membrane-anchored mucin glycoprotein mimics. Phase segregation on different length scales in a model cell membrane system
Abstracts: Molecular origin of anticooperativity in hydrophobic association. Reply to 'comment on 'molecular origin on anticooperativity in hydrophobic association'
Abstracts: Molecular oxygen reduction in PEM fuel cell conditions: ToF-SIMS analysis of Co-based electrocatalysts. O(sub 2) reduction in PEM fuel cells: activity and active site structural information for catalysts obtained by the pyrolysis at high temperature of Fe precursors
Abstracts: Molecular packing and NPT-molecular dynamics investigation of the transferability of the RDX intermolecular potential to 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane
Abstracts: Molecular packing parameter in bolaamphiphile solutions: Adjustment of aggregate morphology by modifying the solution conditions
Abstracts: Molecular passivation of mercury-silicon (p-type) diode junctions: Alkylation, oxidation, and alkylsilation. Absorption of mercury in gold films and its further desorption: Quantitative morphological study of the surface patterns
Abstracts: Molecular properties related to the anomalous solubility of beta-cyclodextrin. Evaluating intramolecular hydrogen bond strengths in (1-4) linked disaccharides from electron density relationships
Abstracts: Molecular recognition in cyclodextrin complexes of amino acid derivatives: The effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study
Abstracts: Molecular recognition in cyclodextrin complexes of amino acid derivatives: The effects of kinetic energy on the molecular recognition of a pseudopeptide in a nonconstraining host environment as revealed by a temperature-dependent crystallographic study. part 2
Abstracts: Molecular recognition in terms of a dimensionless index. 2. Thermodynamic patterns of intermolecular interactions of PEG and its alcohol substrates
Abstracts: Molecular recognition kinetics of beta-cyclodextrin for several alcohols by ultrasonic relaxation method. Kinetic study for the inclusion complex of carboxylic acids with cyclodextrin by the ultrasonic relaxation method
Abstracts: Molecular recognition kinetics of nonsurface active pyrimidine derivatives dissolved in aqueous subphase by an amphiphilic melamine type monolayer: A theoretical approach
Abstracts: Molecular recognition kinetics of nonsurface active pyrimidine derivatives dissolved in aqueous subphase by an amphiphilic melamine type monolayer: A theoretical approach. part 2
Abstracts: Molecular recognition of 1-(2-octadecyloxycarbonylethyl) cytosine monolayers to guanosine at the air-water interface investigated by infrared reflection-absorption spectroscopy
Abstracts: Molecular recognition through H-bonding in micelles formed by dioctylphosphatidyl nucleosides. Probing the influence of X-rays on aqueous copper solutions using time-resolved in situ combined video/X-ray absorption near-edge/ultraviolet-visible spectroscopy
Abstracts: Molecular recognition with DNA nanoswitches: effects of single base mutations on structure. Single crystalline nanowires of lead: large-scale synthesis, mechanistic studies, and transport measurements
Abstracts: Molecular relaxation dynamics of self-assembled monolayers. Surface modification of H-ferrierite by reaction with triethoxysilane
Abstracts: Molecular salvation in water-methanol and water-sorbitol mixtures: The roles of preferential hydration, hydrophobicity, and the equation of state
Abstracts: Molecular self-assembly on surfaces of organic conducting salts: epitaxial monolayer films of naphthalene on the (001) surface of (TMTSF)2PF6
Abstracts: Molecular simulation for flexibility of a single clay layer. Sensing of molecular chirality on an electrode modified with a clay-metal complex hybrid film
Abstracts: Molecular simulation of cross-nucleation between polymorphs. Electric Field Effects on Insulin Chain-B Conformation
Abstracts: Molecular simulation of disjoining-pressure isotherms for free aqueous thin films. Molecular dynamics simulations of surface tensions of aqueous electrolytic solutions
Abstracts: Molecular simulation of phase equilibria for water-methane and water-ethane mixtures. Molecular simulation of phase equilibria for water-n-butane and water-n-hexane mixtures
Abstracts: Molecular simulation of the free surface order in NLC samples. Role of delocalized electrons in polyaniline nematogen cyanobiphenyls interaction
Abstracts: Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite
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