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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Theoretical study of the stereodynamics of the reaction Cl + C3H8 → C3H7 + HCl
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Influence of the alloying component on the protective ability of some zinc galvanic coatings
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ISE pages
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Analysis of the use of voltammetric results as a steady state approximation to evaluate kinetic parameters of the hydrogen evolution reaction
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Effect of hydrogen charging on the stability of SAE 10B22 steel surface in alkaline solutions
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Lead electrodeposition from very alkaline media
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Bioelectrochemistry and enzymatic activity of glucose oxidase immobilized onto the bamboo-shaped CNx nanotubes
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Electrophoretic deposition of nanocomposites formed from polythiophene and metal oxides
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Nickel foam and carbon felt applications for sodium polysulfide/bromine redox flow battery electrodes
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Electrochemical and in situ TM-AFM studies of the polymerization conditions on poly(o-methoxyaniline) film morphology
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Ab initio potential energy surface for HeF2 in its ground electronic state
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An improved potential energy surface for the F+H2 reaction
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A time-dependent wave packet study of the H4 four-center reaction
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High-speed jet electrodeposition and microstructure of nanocrystalline Ni-Co alloys
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Curvature contributions to the static electrical properties of push-pull molecules
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A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels
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A theoretical study of the excited electronic states of the SiCN system
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Magnetic properties of d1-d1-d2 MV trimers with partial electron delocalization in the generalized vibronic model
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Computational studies on the thermal decomposition and isomerization of CHBr2O radical
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Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5
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Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1 ⩽ n ⩽ 3 and CH2F2⋯(HF)1 ⩽ n ⩽ 3
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Dehydration energies of alkaline earth metal halides - a novel simulation methodology
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Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study
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Cluster-assistant generation of multiply charged atomic ions in nanosecond laser ionization of seeded methyl iodide beam
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Subject Index
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Synthesis and electrode performance of layered nickel dioxide containing alkaline ions
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Electrodeposition of amorphous/nanocrystalline and polycrystalline Ni-Mo alloys from pyrophosphate baths
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The positive effect of oxygenated solvents for the synthetic use of electroregenerated ytterbium(II)
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Oxygen reduction on oxide/polypyrrole composite electrodes: effect of doping anions
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Key role of the desolvation in the achievement of the quasi-metallic state of electronically conducting polymers
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Electrochemical evaluation of ferrocene carboxylic acids confined on surfactant-clay modified glassy carbon electrodes: oxidation of ascorbic acid and uric acid
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Influence of oxidative stabilization on the electrochemical behaviour of coal tar pitch derived carbons in lithium batteries
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Studies of phase composition of Zn-Ni alloy obtained in acetate-chloride electrolyte by using XRD and potentiodynamic stripping
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The vacuum-annealed undoped polycrystalline CVD diamond electrodes: the impedance-spectroscopy and photoelectrochemical studies
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Polysulfone ionomers for proton-conducting fuel cell membranes
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Electropolymerization of 4-nitro-1,2-phenylenediamine and electrochemical studies of poly(4-nitro-1,2-phenylenediamine) films
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Internally humidified polymer electrolyte fuel cells using water absorbing sponge
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Effect of metals on silver electrodeposition
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Intermolecular motion in strong infrared laser fields
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Synthesis and characterization of Nafion®-MO2 (M = Zr, Si, Ti) nanocomposite membranes for higher temperature PEM fuel cells
Fulltext Access 8 Pages 2005
Development of an environmentally friendly protective coating for the depleted uranium-0.75 wt.% titanium alloy
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ISE pages
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Miniaturised reference electrodes for field-effect sensors compatible to silicon chip technology
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Selective formation of porous layer on n-type InP by anodic etching combined with scratching
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Cathodic Tb(III) chelate electrochemiluminescence at oxide-covered magnesium and n-ZnO:Al/MgO composite electrodes
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Solution and solid phase electrochemical behaviour of [Os(bpy)3]3[P2W18O62]
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Evaluation and improvement of dynamic optimality in electrochemical reactors
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ISE pages
Fulltext Access 8 Pages 2005
Electrodeposition of Co-Ni and Co-Ni-Cu systems in sulphate-citrate medium
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Pd deposition onto Au(111) electrodes from sulphuric acid solution
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Hydration and temperature dependent dynamics of lysozyme in glucose-water matrices. A neutron scattering study
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Structure and dynamics of solvated Ba(II) in dilute aqueous solution - an ab initio QM/MM MD approach
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Renormalization group theory for fluids including critical region. II. Binary mixtures
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High-frequency interaction-induced rototranslational wings of anisotropic nitrogen spectra
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On the use of empirically corrected theoretical procedures in preparative chemistry: Synthesis, spectroscopic and theoretical studies on 1,3-bis(trimethylsilyl)benzimidazol-2-one
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Third-order transport properties of ion-swarms from mobility and diffusion coefficients
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Transition state structure, energetics, and rate constants for the CH4 + F(2P) → CH3 + HF reaction
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Forces due to changes of electronic density: A complementary view of the Jahn-Teller effect
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Theoretical studies on the interaction of the CrO42-andSO42- anions with biologically relevant ligands: NO+, NO, O2+, OH, imidazole and methylimidazoles
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A charge-charge flux-dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (A = N, P; B = H, F) molecules
Fulltext Access 8 Pages 2005
Inhomogeneous electrochemiluminescence. II Markovian encounter theory of the phenomenon
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Electromodulation of fluorescence in hole-transporting materials for organic light-emitting diodes. Part II: Starburst amines
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The conformational potential energy surface of IOONO and the isomerization and decomposition processes
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Magneto-optical studies of silver atoms in neon matrices
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Dynamical heterogeneity in glass-forming toluene: Comparison of bulk and confined conditions by quasielastic neutron scattering and molecular dynamics simulations
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Transport suppression in heterostructures driven by an ac gate voltage
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Channel-facilitated membrane transport: Constructive role of particle attraction to the channel pore
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A unified picture of energy and electron transfer in primary photosynthesis
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ITIES fluctuations induced by easily transferable ions
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Electrical resistivity of monolayers and bilayers of alkanethiols in tunnel junction with gate electrode
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Electrocatalytic activation of Ni for H2 evolution by spontaneous deposition of Ru
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Electronic structure of S-C6H5 self-assembled monolayers on Cu(1 1 1) and Au(1 1 1) substrates
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Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions
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Three-coupled-oscillator model for nonlinear optical response of chiral molecules with tripod-like structure
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Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene
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Can gallium dimer react effectively with three H2 molecules to form digallane?
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Accurate static electric dipole polarizability calculations of +3 charged lanthanide ions
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Large-scale electron correlation calculations in the framework of the spin-free dirac formalism: the Au2 molecule revisited
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Sixth-order Douglas-Kroll: two-component reference data for one-electron ions from 1s12 through 4f72
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Subject Index
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Steering wave packet dynamics and population transfer between electronic states of the Na2 molecule by femtosecond laser pulses
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Effect of dimensionality and size on triplet-triplet annihilation
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Micellar aggregation dynamics on a lattice
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The cooperative nature of hydrophobic forces and protein folding kinetics
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Geometries of small tungsten clusters
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Theoretical investigation of hydrogen transfer mechanism in the adenine-thymine base pair
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Subject Index
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Theoretical study of the photophysics of SF5CF3
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Emission properties of single CdSe/ZnS quantum dots close to a dielectric interface
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A systematic study of global analysis of diffusion-mediated fluorescence quenching data
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Electroabsorption (Stark effect) spectroscopy of monomeric purine and pyrimidine bases
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Interaction of water with small Fen clusters
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DFT conformational study of banana-shaped mesogens
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Energetics and structure of the bound states in a lithium complex: The (LiH2)+ electronic ground state
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Photofragmentation of C, F and S K-shell excited CF3SF5 studied by PEPICO and PIPICO spectroscopy
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A theoretical study of the Si22+ dication
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A theoretical study of the role of the hydrogen bond on core ionization of the water dimer
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An ab initio dynamics study of the CH3Cl + OH reaction
Fulltext Access 8 Pages 2005
Photophysical characterisation of some dipyrromethene dyes in ethyl acetate and covalently bound to poly(methyl methacrylate)
Fulltext Access 8 Pages 2005
Pentamers of formic acid
Fulltext Access 8 Pages 2005
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