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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Formation of a 6FDA-based ring polyimide with nanoscale cavity evaluated by DFT calculations
Fulltext Access 11 Pages 2005
Theoretical and experimental study of the ECE mechanism at microring electrodes
Fulltext Access 11 Pages 2005
One layer, two layers, etc. An introduction to the EIS study of multilayer electrodes. Part 1: Theory
Fulltext Access 11 Pages 2005
Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand to metal ratio: part IV. Binding curve from the polarographic waves
Fulltext Access 11 Pages 2005
Numerical simulation of partially blocked electrodes under cyclic voltammetry conditions: influence of the block unit geometry on the global electrochemical properties
Fulltext Access 11 Pages 2005
On the parameters affecting the characteristics of the “wired” glucose oxidase anode
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A study of 1-decanethiol self-assembly on gold electrodes by computer simulation
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The role of dissolution in the voltammetry of microdroplets and microparticles adhered to electrode surfaces in contact with aqueous electrolytes or ionic liquids
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Adsorption of 6-mercaptopurine and 6-mercaptopurine riboside on silver colloid: a pH dependent surface enhanced Raman spectroscopy and density functional theory study. Part I. 6-Mercaptopurine
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Observation of various conformers of 4-cyano-4′-alkylbiphenyl by IR spectroscopy and density functional theory calculations
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Spectral characteristics of 2-hydroxynicotinic acid: effects of solvent and acid or base concentrations
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Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water
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Analytical calculation of far infrared spectra of ice in terms of a molecular model
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Electrosyntheses of high quality freestanding polyselenophene films in boron trifluoride diethyl etherate
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The reactivity of [ReBr3(MeCN)(dppe)] towards gaseous nitric oxide. The X-ray structure of [ReBr3(MeCN)(dppe)] and [ReBr3(NO)(dppe)]0.57[ReOBr3(dppe)]0.43 and DFT calculations for [ReBr3(NO)(dppe)] and [ReOBr3(dppe)]
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Alignment of molecules in Langmuir and Langmuir-Blodgett films of binary mixtures of 3,4,9,10-tetra-(n-alkoxy-carbonyl)-perylenes with a liquid crystal
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The influence of halide anions on the molecular structure of bis(N-methylpiperidine betaine) monocation with short hydrogen bond
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Synthesis and characterisation of new ditetrazole-ligands as more rigid building blocks of envisaged iron(II) spin-crossover coordination polymers
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Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in 3-pyridinealdoxime and 4-pyridinealdoxime crystals: H/D isotopic self-organization effects in the IR spectra
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Ab initio investigations of some molecular complexes containing hydrogen cyanide: hydrogen-bonded or donor-acceptor?
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Triple helix-tetraplex equilibrium for G-rich oligonucleotide N3′→P5′ phosphoramidates: role of molecular concentration and counterions
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High-pressure studies on fluorine substituted 2,5-di(phenyl)-1,3,4-oxadiazoles
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A structural investigation on the flexibility of certain o-phthalic acid derivatives
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Studies on adducts of rhodium(II) tetraacetate and rhodium(II) tetratrifluoroacetate with some amines in CDCl3 solution using 1H, 13C and 15N NMR
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Synthesis, structure and characterisation of two 2,4-diamino-6-R-1,3,5-triazine derivatives (R=3-cyanophenyl and 4-cyanophenyl)
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Tetrastrontium-digalliumoxide (Sr4Ga2O7)-synthesis and crystal structure of a mixed anion strontium gallate related to perovskite
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A N,N′-diacetate benzodioxotetraazamacrocycle and its transition metal complexes
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Transition metal quinone-thiosemicarbazone complexes 1: Evaluation of EPR covalency parameters and redox properties of pseudo-square-planar copper(II)-naphthoquinone thiosemicarbazones
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Gold(III) dithiocarbamate derivatives of N-methylglycine: An experimental and theoretical investigation
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X-ray diffraction, spectral and magnetic studies of the nickel(II) thiocyanate complexes with tridentate 2,6-dithiocarboxamidopyridine SNS and 2,6-dicarboxamidopyridine ONO ligands: Influence of donor atoms on the coordination geometry of nickel
Fulltext Access 11 Pages 2005
Synthesis, characterization and molecular structures of Cu(II) and Ba(II) fluorinated carboxylate complexes
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Lateral macrobicyclic compartmental mono and binuclear nickel(II) complexes derived from phenolate ligands: Synthesis, spectral, electrochemical and kinetic studies
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Polymer and cage-type structures in silver(I) complexes with heterocyclic thiones and bridging diphosphine ligands. Crystal structures of [Ag(μ-dpppent)(tHpymtH)(ONO2)]n and [Ag2(μ-trans-dppen)3(pymtH)2](NO3)2 · CH3CN
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Synthesis and characterization of sterically expanded ansa-η1-fluorenyl-amido complexes
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Salicylaldoxime (H2salox) in iron(III) carboxylate chemistry: Synthesis, X-ray crystal structure, spectroscopic characterization and magnetic behavior of trinuclear oxo-centered complexes
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A comparison of the coordination geometries of some 4-methylimidazole-5-carbaldehyde complexes with Zn(II), Cd(II) and Co(II) ions in the solid state and aqueous solution
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Spectroscopic characterization of alkaline earth uranyl carbonates
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Solid solubilities of (La Nd,)2(Zr,Ti)2O7 phases deduced by neutron diffraction
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Semiempirical ZINDO/S, AM1 and ab initio HF/STO-3G and HF/6-31G study of quaternary salts of diazaphenanthrenes with ethyl bromide and 1,3-dibromopropane
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Comparative study of sol-gel-hydrothermal and sol-gel synthesis of titania-silica composite nanoparticles
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Evolution of structure and magnetic properties in electron-doped double perovskites, Sr2−xLaxMnWO6 (0⩽x⩽1)
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Room temperature solid-state transformation from Ag2Cu2O3 to Ag2Cu2O4 by ozone oxidation
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Energetics of La1−xAxCrO3−δ perovskites (A=Ca or Sr)
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Structural and thermal properties of Co-Cu-Fe hydrotalcite-like compounds
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LiMO2 (M=Mn, Fe, and Co): Energetics, polymorphism and phase transformation
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Solvothermal syntheses, crystal structures and properties of five new thioantimonates(III) containing the [Sb4S7]2− anion
Fulltext Access 11 Pages 2005
Photoelectrochemical behavior of composite metal oxide semiconductor films with a WO3 matrix and occluded Degussa P 25 TiO2 particles
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Study of the DNA hybridization transduction behavior of a quinone-containing electroactive polymer by cyclic voltammetry and electrochemical impedance spectroscopy
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Electrode and pH effects on electrochemical reactions during ohmic heating
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Study of the zinc electroplating process using electrochemical noise technique
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Conformational properties of trimethyl phosphate monomer
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Increasing 14N NQR signal by 1H-14N level crossing with small magnetic fields
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Solid state 31P and 207Pb MAS NMR studies on polycrystalline O,O′-dialkyldithiophosphate lead(II) complexes
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Some new aspects of dendrimer applications
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Judd-Ofelt analysis of spectroscopic properties of Nd3+-doped novel fluorophosphate glass
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Photoluminescence of Er3+ ions in Bi2TeO5 single crystals
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Two-dimensional Penning ionization electron spectroscopic study on outer characteristics of molecules
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Soft X-ray spectromicroscopy of biological and synthetic polymer systems
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EELS studies of Ti-bearing materials and ab initio calculations
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Atomic resolution electron energy-loss spectroscopy
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Alloying of Pd thin films with Nb(0 0 1)
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Analysis of the Auger-photoelectron coincidence spectroscopy (APECS) spectra of metallic Pd, Ag, and Sn
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Author index
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Increasing the sensitivity of 2D high-resolution NMR methods applied to quadrupolar nuclei
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Single-molecule magnets: a molecular approach to nanoscale magnetic materials
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Author Index
Fulltext Access 11 Pages 2005
Syntheses and characterization of some homoleptic (1,1-dithiolato)copper(II) and nickel(II) complexes, and mixed-ligand (1,1-dithiolato)nickel(II) chelates containing nitrogenous bases. Crystal structures of tetrabutylammonium(1-cyano-1-chlorophenyl-2,2-e
Fulltext Access 11 Pages 2005
Syntheses, crystal structures and electronic properties of a series of copper(II) complexes with 3,5-halogen-substituted Schiff base ligands and their solutions
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Where are the Sn atoms in LaSb2Snx, 0.1⩽x⩽∼0.75?
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Full potential linearized augmented plane wave calculations of positronic and electronic charge densities of zinc-blende AlN, InN and their alloy Al0.5In0.5N
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Ternary and quaternary layered nitride halides, Ca2N(X,X′) (X,X′=Cl, Br, I): Evolution of structure with composition
Fulltext Access 11 Pages 2005
U(IV)/LN(III) unexpected mixed site in polymetallic oxalato complexes. Part II. Substitution of U(IV) for Ln(III) in the new oxalates (N2H5)Ln(C2O4)2·nH2O (Ln=Nd, Gd)
Fulltext Access 11 Pages 2005
LiB3O5 crystal structure at 20, 227 and 377 °C
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High resolution and in situ neutron powder diffraction study of the crystal structure and the stability of Ba4CaCu3O8+δ
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A coupled electron diffraction and rigid unit mode (RUM) study of the crystal chemistry of some zeotypic AlPO4 compounds
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Protein backbone dynamics from N-HN dipolar couplings in partially aligned systems: a comparison of motional models in the presence of structural noise
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DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine monohydrate
Fulltext Access 11 Pages 2005
Comparison of different extraction techniques for isolation of antioxidants from sweet grass (Hierochloë odorata)
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Supercritical water oxidation of wastewater from LCD manufacturing process: kinetic and formation of chromium oxide nanoparticles
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Precipitation and phase behavior of theophylline in solvent-supercritical CO2 mixtures
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Performance of a natural convection circulation system for supercritical fluids
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An anti-corrosive reactor for the decomposition of halogenated hydrocarbons with supercritical water oxidation
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3D NMR spectroscopy for resonance assignment and structure elucidation of proteins under MAS: novel pulse schemes and sensitivity considerations
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On concomitant gradients in low-field MRI
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Quantitative study of the effects of chemical shift tolerances and rates of SA cooling on structure calculation from automatically assigned NOE data
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Assigning uncertainties in the inversion of NMR relaxation data
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Theoretical and experimental investigation of 13C relayed 2H-2H-COSY 2D experiments: Application to the analysis of weakly aligned solutes
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Progressive EPR imaging with adaptive projection acquisition
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High-resolution X-ray diffraction, DIFFaX, NMR and first principles study of disorder in the Li2MnO3–Li[Ni1/2Mn1/2]O2 solid solution
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The use of multivariate MR imaging intensities versus metabolic data from MR spectroscopic imaging for brain tumour classification
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Use of non-adiabatic geometric phase for quantum computing by NMR
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Heteronuclear decoupling interference during symmetry-based homonuclear recoupling in solid-state NMR
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Correction of concomitant gradient artifacts in experimental microtesla MRI
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Photo-CIDNP experiments with an optimized presaturation pulse train, gated continuous illumination, and a background-nulling pulse grid
Fulltext Access 11 Pages 2005
A study of the spin-echo spin-locking effect in multi-pulse sequences in 14N nuclear quadrupole resonance
Fulltext Access 11 Pages 2005
Periodicity, planarity, residual dipolar coupling, and structures
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Temperature dependence of protein backbone motion from carbonyl 13C and amide 15N NMR relaxation
Fulltext Access 11 Pages 2005
Structure determination of aligned systems by solid-state NMR magic angle spinning methods
Fulltext Access 11 Pages 2005
Four complementary theoretical approaches for the analysis of NMR paramagnetic relaxation
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Development of a 3-D, multi-nuclear continuous wave NMR imaging system
Fulltext Access 11 Pages 2005
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