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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Light emissions accompanying molecular ionization found by a new triple coincidence technique
Fulltext Access 9 Pages 2005
How should we calculate multi-dimensional potential energy surfaces for an accurate reproduction of partition functions?
Fulltext Access 9 Pages 2005
Time-resolved spectroscopic characterization of photo-induced valence tautomerism for a cobalt-dioxolene complex
Fulltext Access 9 Pages 2005
Subject Index
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Electronic structures and band gaps of chains and sheets based on phenylacetylene units
Fulltext Access 9 Pages 2005
Intramolecular proton transfer and tunnelling reactions of hydroxyphenylbenzoxazole derivatives in Xenon at 15 K
Fulltext Access 9 Pages 2005
The direct l-type resonance spectrum of CF3CCH in the vibrational state ν10 = 2
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A new method for the calculation of two-pulse time- and frequency-resolved spectra
Fulltext Access 9 Pages 2005
Intramolecular electron transfer in cyclopeptide involving tryptophan and tyrosine and corrected two-sphere model for solvent reorganization energy
Fulltext Access 9 Pages 2005
Study of the OD EPR phenomena in (COF)2 excited to single rotational levels of the 801,501,711801and501711 vibronic states: cluster formation investigated by the OD EPR
Fulltext Access 9 Pages 2005
Conditions giving rise to intense visible room temperature photoluminescence in SrWO4 thin films: the role of disorder
Fulltext Access 9 Pages 2005
Dependence of thermal diffusion factor of binary mixtures to the thermodynamic state by NEMD simulation
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The 12A″, 12A′, and 22A′ electronic states of the H2S+ ion studied using multiconfiguration second-order perturbation theory
Fulltext Access 9 Pages 2005
Energy-level calculations for the 5f26d1 configuration of U3+ in Cs2NaYCl6 single crystals
Fulltext Access 9 Pages 2005
Evidence for the TICT mediated nonradiative deexcitation process for the excited coumarin-1 dye in high polarity protic solvents
Fulltext Access 9 Pages 2005
Force field based molecular dynamics simulations in highly conducting compounds of poly(aniline). A comparison with quasi-elastic neutron scattering measurements
Fulltext Access 9 Pages 2005
A combined neutron scattering and simulation study on bioprotectant systems
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Interfacial structure of an H-bonding liquid confined into silica nanopore with surface silanols
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Photoinduced electron transfer in a donor-acceptor dyad oriented by an aligned nematic liquid crystal solvent
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Analysis of the transverse energy distribution of hopping electrons through a glass funnel
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Operating model for scandia doped matrix scandate cathodes
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Model of dopant action in oxide cathodes
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The X-ray photoelectron spectroscopy of surface composition of aged mixed copper manganese oxide catalysts
Fulltext Access 9 Pages 2005
Fabrication and characterisation of ultra-thin tungsten-carbon (W/C) and platinum-carbon (Pt/C) multilayers for X-ray mirrors
Fulltext Access 9 Pages 2005
Effect of series resistance on the performance of silicon Schottky diode in the presence of tin oxide layer
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On temperature- and space-dimension dependent matter agglomerations in a mature growing stage
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Two-dimensional lattice Monte Carlo simulation of the compatibility of A/B/functionalized A ternary polymer mixtures coupled with chemical reaction
Fulltext Access 9 Pages 2005
Monte-Carlo simulations of geminate electron-hole pair dissociation in a molecular heterojunction: a two-step dissociation mechanism
Fulltext Access 9 Pages 2005
Density functional based calculations for Fen (n⩽32)
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Subject index
Fulltext Access 9 Pages 2005
Subject index
Fulltext Access 9 Pages 2005
The photoinduced ring opening reaction of benzo(2H)chromenes: a kinetic and thermodynamic approach
Fulltext Access 9 Pages 2005
Fluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths
Fulltext Access 9 Pages 2005
Mapping the many-electron generalised spin-exchange Hamiltonian to accurate post-HF calculations
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Subject index
Fulltext Access 9 Pages 2005
A compact formulation for multi-component transport coefficients in gas mixtures
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Rare gas-iodine complexes in the ion-pair states
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Modeling of biliverdin reduction process: regio-specificity and H-bonding
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Chemical alteration of poly(vinyl fluoride) Tedlar by hyperthermal atomic oxygen
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Further investigation about Lagrangian theorem-based density functional approximation: test by non-uniform polymer melt
Fulltext Access 9 Pages 2005
Ab initio and experimental study of the K-shell spectra of 2,5-dihydrofuran
Fulltext Access 9 Pages 2005
Modeling of decoherence and dissipation in nonadiabatic photoreactions by an effective-scaling nonsecular Redfield algorithm
Fulltext Access 9 Pages 2005
Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state
Fulltext Access 9 Pages 2005
DFT study of ground state proton transfer in 2-pyridone/2-hydroxypyridine-ammonia clusters
Fulltext Access 9 Pages 2005
Direct determination of pair potential energy function from extended law of corresponding states and calculation of thermophysical properties for H2-He
Fulltext Access 9 Pages 2005
Electronic structures of PtCu, PtAg, and PtAu molecules: a Dirac four-component relativistic study
Fulltext Access 9 Pages 2005
Chemical and photophysical properties of AuI, AuII, AuIII, and AuI-dimer complexes
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Vibronic effects in pathways of photochemistry and vibrational relaxation
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Model for power-law statistics in blinking photoluminescence of single semiconductor nanocrystals
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Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin
Fulltext Access 9 Pages 2005
RETRACTED: Pore size control of Pitch-based activated carbon fibers by pyrolytic deposition of propylene
Fulltext Access 9 Pages 2005
A comparative study of wire feeding and powder feeding in direct diode laser deposition for rapid prototyping
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In situ studies of complex PLD-grown films using hard X-ray surface diffraction
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Langmuir-Blodgett and Langmuir-Schaefer films of homoleptic and heteroleptic phthalocyanine complexes as voltammetric sensors:
Fulltext Access 9 Pages 2005
Surface modifications of TiN coating by pulsed TEA CO2 and XeCl lasers
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Studies of iron and iron oxide layers by electron spectroscopes
Fulltext Access 9 Pages 2005
Low voltage electrodeposition of CNx films and study of the effect of the deposition voltage on bonding configurations
Fulltext Access 9 Pages 2005
Surface and adsorptive properties of carbons prepared from biomass
Fulltext Access 9 Pages 2005
Combining resonant/non-resonant processes: Nanometer-scale iron-based material preparation via CO2 laser pyrolysis
Fulltext Access 9 Pages 2005
Point defect production by ultrafast laser irradiation of alkali-containing silica glasses and alkali halide single crystals
Fulltext Access 9 Pages 2005
Characterization of copper indium ditelluride/electrolyte interface utilizing electrochemical impedance spectroscopy
Fulltext Access 9 Pages 2005
Magic behavior and bonding nature in hydrogenated aluminum nitride clusters
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Microstructure and oxidation of hot-dip aluminized titanium at high temperature
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Multiple-layer laser direct writing metal deposition in electrolyte solution
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Adsorption and diffusion of cyclopentane in silicalite-1: a thermodynamic and kinetic study
Fulltext Access 9 Pages 2005
Structural and optical properties of thermally evaporated Bi2Te3 films
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Photoluminescence and characteristics of terbium-doped AlN film prepared by magnetron sputtering
Fulltext Access 9 Pages 2005
Growth mode during initial stage of chemical vapor deposition
Fulltext Access 9 Pages 2005
Lattice model studies of CO oxidation kinetic oscillation over nano-scaled Pt particle: Effect of temperature variation and diffusion
Fulltext Access 9 Pages 2005
Equilibrated thermodesorption studies of adsorption of n-hexane and n-heptane on zeolites Y, ZSM-5 and ZSM-11
Fulltext Access 9 Pages 2005
On the ways of generalization of adsorption kinetic equations for the case of energetically heterogeneous surfaces
Fulltext Access 9 Pages 2005
Theoretical study of the influence of laser-induced defects on the adsorption of gases on solid surfaces
Fulltext Access 9 Pages 2005
Surface topography problem and argon adsorption on crystalline faces: Monte-Carlo and lattice-gas model simulations
Fulltext Access 9 Pages 2005
Thermal stability and surface acidity of mesoporous silica doubly doped by incorporation of sulfate and zirconium ions
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Factors affecting phase and height contrast of diblock copolymer PS-b-PEO thin films in dynamic force mode atomic force microscopy
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Characterization of nanolayers by sputter depth profiling
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Influence of atomic-scale irregularities in fractal analysis of electrode surfaces
Fulltext Access 9 Pages 2005
Evaluation of phase, composition, microstructure and properties in TiC/a-C:H thin films deposited by magnetron sputtering
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Reciprocating sliding wear behavior of laser-clad small amplitude Mo2Ni3Si/NiSi metal silicide composite coatings
Fulltext Access 9 Pages 2005
Kinetic interface roughening and magneto resistance of sputter-deposited Fe/Ni75B25 multilayers
Fulltext Access 9 Pages 2005
Inhibition of steel pitting corrosion in HCl by some inorganic anions
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Characteristic responses of a semiconductor gas sensor depending on the frequency of a periodic temperature change
Fulltext Access 9 Pages 2005
Influence of surface roughness on water- and oil-repellent surfaces coated with nanoparticles
Fulltext Access 9 Pages 2005
Sub-micron scale patterning using femtosecond laser and self-assembled monolayers interaction
Fulltext Access 9 Pages 2005
Ultrathin multilayer of Fe and Ge: structure and magnetic properties
Fulltext Access 9 Pages 2005
X-ray photoelectron spectroscopy characterization of composite TiO2-poly(vinylidenefluoride) films synthesised for applications in pesticide photocatalytic degradation
Fulltext Access 9 Pages 2005
The study of the influence of uniaxial stress on impurity complexes in silicon
Fulltext Access 9 Pages 2005
Characterization and performances of an Algerian diatomite-based gas chromatography support
Fulltext Access 9 Pages 2005
Inhibiting effects of some oxadiazole derivatives on the corrosion of mild steel in perchloric acid solution
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Epitaxy relationships between Ge-islands and SiC(0 0 0 1)
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Model of the absorption variation during pulsed laser heating applied to welding of electronic Au/Ni-coated Cu-leadframes
Fulltext Access 9 Pages 2005
Inhibitive action of two bipyrazolic isomers towards corrosion of steel in 1 M HCl solution
Fulltext Access 9 Pages 2005
A XPS investigation of SO2 adsorption on ceria-zirconia mixed-metal oxides
Fulltext Access 9 Pages 2005
Formation of vacancy islands tailored by Pt nanocrystallites and Ar+ sputtering on TiO2(1 1 0) surface
Fulltext Access 9 Pages 2005
Monte Carlo simulation of interactions between energetic electron and cellulose film
Fulltext Access 9 Pages 2005
Corrosion inhibition of pure iron in 0.5 M H2SO4 solutions by ethanolamines
Fulltext Access 9 Pages 2005
Atomic-scale calculation of interface energy for Ag/Ni
Fulltext Access 9 Pages 2005
Reactive laser synthesis of carbides and nitrides
Fulltext Access 9 Pages 2005
Laser interaction in sol-gel based materials-3-D lithography for photonic applications
Fulltext Access 9 Pages 2005
Effect of sub-micrometer polymer gratings generated by two-beam interference on surface plasmon resonance
Fulltext Access 9 Pages 2005
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