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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

UV resonance Raman study of model complexes of the CuB site of cytochrome c oxidase
Fulltext Access 13 Pages 2005
Effect of plating mode, thiourea and chloride on the morphology of copper deposits produced in acidic sulphate solutions
Fulltext Access 13 Pages 2005
Pitting corrosion of AZ91D and AJ62x magnesium alloys in alkaline chloride medium using electrochemical techniques
Fulltext Access 13 Pages 2005
The electrochemical reduction of VO2+ in acidic solution at high overpotentials
Fulltext Access 13 Pages 2005
Comments on the review 'Anomalous behaviour of hydrogen extraction from hydride-forming metals and alloys under impermeable boundary conditions', by J.-W. Lee, S.-I. Pyun, Electrochim. Acta 50 (2005) 1777-1805
Fulltext Access 13 Pages 2005
The reduction of l-cystine hydrochloride at stationary and rotating disc mercury electrodes
Fulltext Access 13 Pages 2005
Comparison between Cottrell diffusion and moving boundary models for determination of the chemical diffusion coefficients in ion-insertion electrodes
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Assessment of chemical libraries for their druggability
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Theoretical aspects of 13C metabolic flux analysis with sole quantification of carbon dioxide labeling
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Genome-based identification of diagnostic molecular markers for human lung carcinomas by PLS-DA
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Spectroscopic, spectrometric and PM5 semiempirical investigation of new lasalocid 8-hydroxy-3,6-dioxaoctyl ester and its complexes with monovalent cations
Fulltext Access 13 Pages 2005
Raman, infrared and far infrared spectra, ab initio calculations, r0 structural parameters, and internal rotation of 3-methyl-1-butyne
Fulltext Access 13 Pages 2005
Red-shifted and improper blue-shifted hydrogen bonds in dimethyl ether (DME)n (n=1-4) and hydrated (DME)n (n=1-4) clusters. A theoretical study
Fulltext Access 13 Pages 2005
Electroreduction and oxidation of terephthalaldehyde and the role of hydration
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Ab initio and DFT theoretical studies of pyridoxal-5′-phosphate methylamine Schiff base isomers
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Temperature dependence of the optical properties of liquid toluene between 4000 and 400 cm−1 from 30 to 105 °C
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The Cologne Database for Molecular Spectroscopy, CDMS: a useful tool for astronomers and spectroscopists
Fulltext Access 13 Pages 2005
Structural influence on the intermolecular/intramolecular hydrogen bonding in solid state of substituted leflunomides: evidence by X-ray crystal structure
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Extractives on fiber surfaces investigated by XPS, ToF-SIMS and AFM
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Experiments on axisymmetric oscillating water jets: absorption of ammonia in presence of n-pentanol
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Finite element estimation of electrostatic double layer interaction between colloidal particles inside a rough cylindrical capillary: effect of charging behavior
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The growth, drainage and breakdown of foams
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Quasi-one-dimensional and two-dimensional drainage of foam
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Rheology of ordered foams-on the way to Discrete Microfluidics
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Semi-continuous emulsion co-polymerisation of methylmethacrylate and butylacrylate using zwitterionic surfactants as emulsifiers: Evidence of coagulative nucleation above the critical micelle concentration
Fulltext Access 13 Pages 2005
Computing eigenvalue bounds for iterative subspace matrix methods
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Synthesis spectroscopic and structural properties of transition metal complexes of the o-xylyl diphosphine o-C6H4(CH2PPh2)2
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Synthesis and structural characterization of some arylamidinium diphenylphosphinates: Formation of one-, two- and three-dimensional networks by charge-assisted hydrogen bonds
Fulltext Access 13 Pages 2005
The synthesis, spectroscopic characterisation, crystal and molecular structure of the [ReCl3(NO)(OPPh3)(pyz)] complex. DFT calculations for [ReCl3(NO)(OPPh3)(pyz)] and [ReCl3(NO)(OPPh3)(PPh3)]
Fulltext Access 13 Pages 2005
Homo- and hetero-metallic manganese citrate complexes: Syntheses, crystal structures and magnetic properties
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Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route
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X-ray powder diffraction and electron diffraction studies of the Ni1±yGe1−xPx system
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Syntheses and structure of the La5Ge3Z phases (Z=Si, Sn, Pb, Ga, In): Structural relationships among the M5X4-type structures
Fulltext Access 13 Pages 2005
Oxonitridosilicate chlorides-synthesis, single-crystal X-ray and neutron powder diffraction, chemical analysis and properties of Ln4[Si4O3+xN7−x]Cl1−xOx with Ln=Ce, Pr, Nd and x≈0.2
Fulltext Access 13 Pages 2005
A program generating homogeneous random graphs with given weights
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Eulerian Vlasov codes
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P-stable linear symmetric multistep methods for periodic initial-value problems
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Detection and tracking of defects in the gyroid mesophase
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Experimental techniques for studying the structure of foams and froths
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LigScore: a novel scoring function for predicting binding affinities
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Molecular dynamics simulations for selection of kinetic hydrate inhibitors
Fulltext Access 13 Pages 2005
A model for the interaction between plant GAPN and 14-3-3ζ using protein-protein docking calculations, electrostatic potentials and kinetics
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Analyzing different parameters of steered molecular dynamics for small membrane interacting molecules
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Efficient determination of low-frequency normal modes of large protein structures by cluster-NMA
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Volumetric properties under pressure for the binary system ethanol + toluene
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Monte Carlo bicanonical ensemble simulation for sodium cation hydration free energy in liquid water
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Is Flory's model the best tool for studying the thermodynamic properties of any kind of binary mixtures?
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Modeling of CO2 solubility and carbamate concentration in DEA, MDEA and their mixtures using the Deshmukh-Mather model
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Internal pressure and solubility parameter as a function of pressure
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Pitting and stress corrosion cracking behavior in welded austenitic stainless steel
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Surface analysis of the proton exchange membranes prepared by pre-irradiation induced grafting of styrene/divinylbenzene into crosslinked thin PTFE membranes
Fulltext Access 13 Pages 2005
Interaction of poly (ethylene oxide)-poly (propylene oxide)-poly (ethylene oxide) triblock copolymer of molecular weight 2800 with sodium dodecylsulfate (SDS) micelles: some physicochemical studies
Fulltext Access 13 Pages 2005
Photosensitization of thin SnO2 nanocrystalline semiconductor film electrodes with electron donor-acceptor metallodiporphyrin dyad
Fulltext Access 13 Pages 2005
DFT study on the influence of meso-phenyl substitution on the geometric, electronic structure and vibrational spectra of free base porphyrin
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Absorption and fluorescence spectroscopic characterization of BLUF domain of AppA from Rhodobacter sphaeroides
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Size dependence investigations of hot electron cooling dynamics in metal/adsorbates nanoparticles
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A priori evaluation of the solvent contribution to the reorganization energy accompanying intramolecular electron transfer: Predicting the nature of the Creutz-Taube ion
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Nanoscale mechanical and dynamical properties of DNA single molecules
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Tryptophan interactions with glycerol/water and trehalose/sucrose cryosolvents: infrared and fluorescence spectroscopy and ab initio calculations
Fulltext Access 13 Pages 2005
Nano-scale patterning by mechano-chemical scanning probe lithography
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Subject Index
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Atomic force measurements of 16-mercaptohexadecanoic acid and its salt with CH3, OH, and CONHCH3 functionalized self-assembled monolayers
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The effect of thermal contact resistance on heat management in the electronic packaging
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Infrared spectra calculated by quantum chemistry with anharmonic corrections: Application to hydrogen-bonded complexes of nitric acid with various bases
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Surface confined self-assembled fullerene nanoclusters: a microscopic study
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Insulating method using cataphoretic paint for tungsten tips for electrochemical scanning tunnelling microscopy (ECSTM)
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Annealing induced microstructural evolution of electrodeposited electrochromic tungsten oxide films
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XPS analysis of down stream plasma treated wool: Influence of the nature of the gas on the surface modification of wool
Fulltext Access 13 Pages 2005
Ternary rare-earth alumo-silicides—single-crystal growth from Al flux, structural and physical properties
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Crystal structures, physical properties and NMR experiments on the ternary rare-earth metal silicide boride compounds RE5Si2B8 (RE=Y, Sm, Gd, Tb, Dy, Ho)
Fulltext Access 13 Pages 2005
Photophysics, photoelectrical properties and photoconductivity relaxation dynamics of quantum-sized bismuth(III) sulfide thin films
Fulltext Access 13 Pages 2005
Solid state synthesis, structures and redox properties of the new [Mo6Bri7TeiBra6]3− and [Mo6Bri7SeiBra6]3− octahedral cluster units: Crystallochemistry of the Rb2+xMo6Bri8−xYixBra6 series (x=0.5 for Y=Te; 0.25⩽x⩽0.7 for Y=Se) and Rb2Mo6Br14
Fulltext Access 13 Pages 2005
Chemical diffusion of oxygen in tin dioxide: Effects of dopants and oxygen partial pressure
Fulltext Access 13 Pages 2005
Ce10[Si10O9N17]Br, Nd10[Si10O9N17]Br and Nd10[Si10O9N17]Cl oxonitridosilicate halides with a new layered structure type
Fulltext Access 13 Pages 2005
cumulative subject index
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Hydrogen evolution on nickel incorporated in three-dimensional conducting polymer layers
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Hydrodynamic fragmentation of nanoparticle aggregates at orthokinetic coagulation
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Simulation of 1-alkene and n-alkane binary vapour-liquid equilibrium using different united-atom transferable force fields
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VLE calculation for non-polar fluid mixtures and polymer solutions using a SAFT-VR type equation of state
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Measurements of solid solubilities and volumetric properties of naphthalene + carbon dioxide mixtures with a new assembly taking advantage of a vibrating tube densitometer
Fulltext Access 13 Pages 2005
Charge transfer processes at poly-o-phenylenediamine and poly-o-aminophenol films
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An overview of kinetic and spectroscopic investigations on three-way catalysts: mechanistic aspects of the CO + NO and CO + N2O reactions
Fulltext Access 13 Pages 2005
Resistivity induced by a rough surface of thin gold films deposited on mica
Fulltext Access 13 Pages 2005
Preparation and characterization of acylhydrazone nickel(II) complexes and their catalytic behavior in vinyl polymerization of norbornene and oligomerization of ethylene
Fulltext Access 13 Pages 2005
Fischer-Tropsch synthesis: The formation of branched hydrocarbons in the Fe and Co catalyzed reaction
Fulltext Access 13 Pages 2005
Hydrogenation of edible oil over Pd catalysts: A combined theoretical and experimental study
Fulltext Access 13 Pages 2005
Mechanism on epoxidation of alkenes by peracids: A protonation-promoted pathway and its quantum chemical elucidation
Fulltext Access 13 Pages 2005
Copper-free heterogeneous catalysts for the Sonogashira cross-coupling reaction: Preparation, characterisation, activity and applications for organic synthesis
Fulltext Access 13 Pages 2005
Crystal structures, unusual magnetic properties and electronic band structures of Cr5−xTixTe8
Fulltext Access 13 Pages 2005
Ab initio model study on acetylcholinesterase catalysis: potential energy surfaces of the proton transfer reactions
Fulltext Access 13 Pages 2005
Degradation of nitrophenols by Fenton and photo-Fenton processes
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Photochemistry and photodissociation of benzosultine and naphthosultine: electronic relaxation of sultines and kinetics and theoretical studies of fragment o-quinodimethanes
Fulltext Access 13 Pages 2005
Theoretical studies of the reaction of hydroperoxy radicals (HO2) with ethyl peroxy (CH3CH2O2), acetyl peroxy (CH3C(O)O2), and acetonyl peroxy (CH3C(O)CH2O2) radicals
Fulltext Access 13 Pages 2005
Absorption and emission spectroscopic characterisation of the LOV2-His domain of phot from Chlamydomonas reinhardtii
Fulltext Access 13 Pages 2005
Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids
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Lattice inversion for interatomic potentials in AlN, GaN and InN
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Theoretical designing of the electronic structures and conduction properties of copolymers of donor-acceptor polymers: effect of multi-neighbour interaction
Fulltext Access 13 Pages 2005
Fine-structure vibronic spectra and NH-phototautomerism in free-base unsubstituted 2,3-naphthalocyanine in naphthalene at 6 K
Fulltext Access 13 Pages 2005
Ab-initio study of the electronic factor (Δ) conformational dependence in [CH2-(phenylene)n-CH2]− electron transfer model systems
Fulltext Access 13 Pages 2005
Structural and vibrational study of isochroman
Fulltext Access 13 Pages 2005
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