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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Trends in negative thermal expansion behavior for AMO2 (A=Cu or Ag; M=Al, Sc, In, or La) compounds with the delafossite structure
Fulltext Access 10 Pages 2005
Systematics of f-element crystal-field interaction
Fulltext Access 10 Pages 2005
The first rubidium rare-earth(III) thiophosphates: Rb3M3[PS4]4 (M=Pr, Er)
Fulltext Access 10 Pages 2005
The standard and anomalous crystal-field spectra of Eu3+
Fulltext Access 10 Pages 2005
Composition-induced structural phase transitions in the (Ba1−xLax)2In2O5+x (0⩽x⩽0.6) system
Fulltext Access 10 Pages 2005
Synthesis and characterization of two aluminophosphates templated by N-methyl-1,3-diaminopropane
Fulltext Access 10 Pages 2005
On the precipitation of coherent spinel nanoparticles in Ti-doped MgO
Fulltext Access 10 Pages 2005
Crystal structure, hydrogen absorption properties and crystal structure of the deuterides of some Nb-Ni derived μ phase compounds
Fulltext Access 10 Pages 2005
Synthesis, crystal chemistry and physical properties of the Ruddlesden-Popper phases Sr3Fe2−xNixO7−δ (0⩽x⩽1.0)
Fulltext Access 10 Pages 2005
Phase transitions in Ca3(BN2)2 and Sr3(BN2)2
Fulltext Access 10 Pages 2005
The ordered phase of methylammonium lead chloride CH3ND3PbCl3
Fulltext Access 10 Pages 2005
Order in the disordered state: local structural entities in the fast ion conductor Ba2In2O5
Fulltext Access 10 Pages 2005
Synthesis, characterization, and photocatalytic activity for hydrogen evolution of nanocrystalline mesoporous titania prepared by surfactant-assisted templating sol-gel process
Fulltext Access 10 Pages 2005
Heavy metal phosphate nanophases in silica: influence of radiolysis probed via f-electron state properties
Fulltext Access 10 Pages 2005
Synthesis and structure of [Ce2(H2O)3](C2O4)2.5(H3C2O3) and Ce2(C2O4)(H3C2O3)4: The latter structure presents an interesting new framework, with 2-fold interpenetration
Fulltext Access 10 Pages 2005
Synthesis and characterization of uranium (IV) phosphate-hydrogenphosphate hydrate and cerium (IV) phosphate-hydrogenphosphate hydrate
Fulltext Access 10 Pages 2005
Study on the pyrolysis of wood-derived rayon fiber by thermogravimetry-mass spectrometry
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Synchrotron micro-FT-IR spectroscopic evaluation of normal paediatric human bone
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Spectral characteristics of 2-(2′-hydroxy-3′-pyridyl)benzimidazole: effects of solvents and acid or base concentrations
Fulltext Access 10 Pages 2005
Microstructure elucidation of poly(9-ethyl-3-hydroxymethylcarbazolyl methacrylate) using two-dimensional NMR spectroscopy
Fulltext Access 10 Pages 2005
Microwave spectrum, barriers to internal rotation, molecular structure, and theoretical calculation of (E)- and (Z)-acetaldehyde oxime, CH3CHNOH
Fulltext Access 10 Pages 2005
Theoretical investigation of 1,1′-bi-2-naphthol isomerization
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Dynamic interactions in hydrogen-bonded systems
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Critical importance of the junction in touching Ag particles for single molecule sensitivity in SERS
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Infrared external reflection absorption spectroscopic study on the structures of the Langmuir-Blodgett films of palmitoyl-l and dl-lysine on a Ge plate
Fulltext Access 10 Pages 2005
Synthesis and structural characterization of metal halide complexes containing N,N′-di(2-methoxyphenyl)formamidine (o-HDMophF)
Fulltext Access 10 Pages 2005
New α,ω-dicarboxylate coordination polymers with 4,4′-bipyridine: Cu(bpy)(C5H6O4), Zn(bpy)(C5H6O4), Zn(bpy)(C6H8O4) and Mn(bpy)(C8H12O4) · H2O
Fulltext Access 10 Pages 2005
Synthesis and crystal structures of sterically hindered lithium-1-azaallyls and a diazahexatriene
Fulltext Access 10 Pages 2005
Heterobimetallic Cd(Zn)/Be coordination polymers involving pyridyl functionalized beryllium diketonates
Fulltext Access 10 Pages 2005
Radical cation salts of TTF(CH2OH)4 with cyanide anions: Synthesis, crystal structure and magnetic properties of [TTF(CH2OH)4][TCNQF4] and [TTF(CH2OH)4]3[18-crown-6 ⊂ K][M(CN)6] · DMF (M = Fe, Co)
Fulltext Access 10 Pages 2005
1-Dimensional and 2-dimensional coordination network structures in the Ba-Ce-dipicH2 system (dipicH2 = dipicolinic acid)
Fulltext Access 10 Pages 2005
Syntheses, characterization and glass-forming properties of new bis[5-((4-ndodecyloxyphenyl)azo)-N-(4-nalkoxyphenyl)-salicylaldiminato]nickel (II) complex homologues
Fulltext Access 10 Pages 2005
Complexes of a triazine-3-thione ligand with divalent metals
Fulltext Access 10 Pages 2005
Novel 1D and 2D heterometallic Cu/Cd complexes comprising unique mixed-anion Cd(μ-Cl)(μ-O2CMe)Cl(O2CMe)2−, Cd(μ-O2CMe)2I(O2CMe)2−, Cd(μ-I)(μ-O2CMe)I(O2CMe)2− and Cd2(NCS)6(O2CMe)22- building blocks: Synthesis from elemental copper, structure an
Fulltext Access 10 Pages 2005
One- and three-dimensional octacyanometalate(IV) networks constructed via a building block approach: {[trans-NiII(tn)2(OH2)][trans-NiII(μ-NC)2(tn)2][(μ-NC)3MIV(CN)5] · 6H2O} (MIV = Mo, W) and Cs4[CuII(OH2)4]2[CuII(NH3)]4[MoIV(CN)8]4 · 2H2O
Fulltext Access 10 Pages 2005
Synthesis and structural characterization of Groups 10 and 11 mononuclear fluoroaryloxide complexes
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Synthesis, molecular, crystal and electronic structure of [RuCl3(NO)(PPh3)(HPz)]
Fulltext Access 10 Pages 2005
Tetrazine derived mononuclear RuII(acac)2(L) (1), [RuII(bpy)2(L)](ClO4)2 (2) and [RuII(bpy)(L)2](ClO4)2 (3) (L = 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate, bpy = 2,2′-bipyridine): syntheses, structures, spectra
Fulltext Access 10 Pages 2005
1H and 13C chemical shift calculations for 12-oxa-pentacyclo[6.2.1.16,9.02,7.02,10]dodeca-4-eno systems using GIAO method at different levels of theory
Fulltext Access 10 Pages 2005
Interaction of Na(I), Ni(II) and Cu(II) with 2-cyano-2-(hydroxyimino)acetic acid: Spectroscopic and theoretical studies
Fulltext Access 10 Pages 2005
Catechol derivatives of Group 4 and 5 compounds
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Novel binuclear copper(II) complexes of di-2-pyridyl ketone N(4)-methyl, N(4)-phenylthiosemicarbazone: Structural and spectral investigations
Fulltext Access 10 Pages 2005
Synthesis and structure of lithium amides and solvated derivatives containing bulky bis(silylamide) ligands
Fulltext Access 10 Pages 2005
Synthesis of five new molybdenum(VI) thiosemicarbazonato complexes. Crystal structures of salicylaldehyde and 3-methoxy-salicylaldehyde 4-methylthiosemicarbazones and their molybdenum(VI) complexes
Fulltext Access 10 Pages 2005
Reactions of aminophosphines and aminobis(phosphines) with aldehydes and ketones: Coordination complexes of the resultant aminobis(alkylphosphineoxides) with cobalt, uranium, thorium and gadolinium salts
Fulltext Access 10 Pages 2005
Coordination preferences of 3,3′-biisoxazolidines: A new kind of conformationally flexible chelating ligand
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Study of the competitive binding of mixed alkali and alkaline earth metal ions with dibenzo-30-crown-10
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Complexation of vanadium(V) oxoanion with ethanolamine derivatives in solution and in a cross-linked polymer
Fulltext Access 10 Pages 2005
Ansa-titanocene pyrrolyl complexes: The synthesis and structural characterization of [Me2Si(C5Me4)2]Ti(NC4H4)X (X = H, Me, Cl and NC4H4) and [Me2Si(C5Me4)(C5Me3CH2)]Ti(NC4H4)
Fulltext Access 10 Pages 2005
Chelating behavior of 2-hydroxyacetophenone N(4)-disubstituted thiosemicarbazones: Facile formation of Mn(IV) complexes - X-ray structure, EPR and cyclic voltammetric studies
Fulltext Access 10 Pages 2005
Acid and redox properties of mixed oxides prepared by calcination of chromate-containing layered double hydroxides
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Two halide exchange in copper(II) halide dimers: (Morpholinium)2Cu2ClxBr6 − x
Fulltext Access 10 Pages 2005
Single-molecule magnets: [Mn12O12(O2CCF2Cl)16(H2O)4]0/−
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Heterospin compounds based on the [Mn6(O)2Piv10] cluster unit and nitroxides
Fulltext Access 10 Pages 2005
Compounds of nickel(II) with 5SR,7RS,12SR,14SR-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetraazacyclotetradecane, rmL2: The structures of [Ni(rmL2)](ClO4)2 · 0.5H2O and cis-[Ni(rmL2)(acac)]ClO4
Fulltext Access 10 Pages 2005
Reaction of [(C6H6)RuCl2]2 with 7,8-benzoquinoline and 8-hydroxyquinoline
Fulltext Access 10 Pages 2005
Evidence for SO2, C2H4Cl2 and CH2Cl2 soluble salts of bismuth homopolyatomic cations and [Bi4OF2Cl6(C6Me6)4][Al(OC(CF3)3)4]2 · C6Me6, containing the novel [Bi4OF2Cl6]2+ cation
Fulltext Access 10 Pages 2005
Synthesis and nonlinear optical properties of BaTi(BO3)2 and Ba3Ti3O6(BO3)2 crystals in glasses with high TiO2 contents
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Synthesis and electrical characterization of Li0.30Ca0.35TaO3 perovskite synthesized via a polymerized complex route
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Crystallization and second harmonic generation in thermally poled niobium borophosphate glasses
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Hydrothermal growth of well-aligned ZnO nanorod arrays: Dependence of morphology and alignment ordering upon preparing conditions
Fulltext Access 10 Pages 2005
Flexible microporous coordination polymers
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Compositionally modulated Fermi surfaces, structured diffuse scattering and ternary derivatives of 1T-TaS2
Fulltext Access 10 Pages 2005
Topology and spin alignment utilizing the excited molecular field in π-conjugated organic spin systems
Fulltext Access 10 Pages 2005
Diffusion paths formation for Cu+ ions in superionic Cu6PS5I single crystals studied in terms of structural phase transition
Fulltext Access 10 Pages 2005
Solvothermal synthesis of new metal organic framework structures in the zinc–terephthalic acid–dimethyl formamide system
Fulltext Access 10 Pages 2005
Origin of visible-light-driven photocatalysis: A comparative study on N/F-doped and N–F-codoped TiO2 powders by means of experimental characterizations and theoretical calculations
Fulltext Access 10 Pages 2005
New binary systems Mg–M–O (M=Y, La, Ce): Synthesis and physico-chemical characterization
Fulltext Access 10 Pages 2005
REAuAl4Ge2 and REAuAl4(AuxGe1−x)2 (RE=rare earth element): Quaternary intermetallics grown in liquid aluminum
Fulltext Access 10 Pages 2005
Structural and magnetic properties of perovskite Ca3Fe2WO9
Fulltext Access 10 Pages 2005
Synthesis, characterization and structure determination of two isotypes of a layered aluminophosphate with a new 2D network topology
Fulltext Access 10 Pages 2005
Temperature and pressure dependent structural studies of the ordered double perovskites Sr2TbRu1−xIrxO6
Fulltext Access 10 Pages 2005
Single crystal X-ray diffraction studies on [(CH3)nNH4–n]3[Sb2Cl9] (n=2n=2, 3) chloroantimonates(III) in their low-temperature ferroelectric phases—structures and phase transitions
Fulltext Access 10 Pages 2005
Structural models for intergrowth structures in the phase system Al2O3–TiO2
Fulltext Access 10 Pages 2005
Lithium ion insertion and extraction reactions with Hollandite-type manganese dioxide free from any stabilizing cations in its tunnel cavity
Fulltext Access 10 Pages 2005
Transformation of one of two CN groups of o-dicyanobenzene in the presence of cyanoguanidine. Crystal and gas-phase structure of 2-(2′-cyanophenyl)-4,6-diamino-1,3,5-triazine
Fulltext Access 10 Pages 2005
ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li+ and Na+ cations
Fulltext Access 10 Pages 2005
Analysis of the vibrational spectra of trans-N,N′-bis-salicylidene-1′,2′-cyclohexanediamine tautomers
Fulltext Access 10 Pages 2005
Quantum and molecular mechanics calculations on modified silica nano ring
Fulltext Access 10 Pages 2005
Smart membrane: preparation of molecular cavity and preferential sorption of small molecule
Fulltext Access 10 Pages 2005
Heavy atom structure and conformer stabilities of cyclopropyl carbinol from rotational spectroscopy and ab initio calculations
Fulltext Access 10 Pages 2005
Oxidative condensation reactions of (diethylenetriamine)cobalt(III) complexes with substituted bis(pyridin-2-yl)methane ligands
Fulltext Access 10 Pages 2005
Self-assembly of copper(II) complexes with a dibasic tridentate ligand and monodentate N-heterocycles: structural, magnetic and EPR studies
Fulltext Access 10 Pages 2005
Nuclear spin symmetry state relaxation in formaldehyde
Fulltext Access 10 Pages 2005
DFT theoretical, synthesis, X-ray diffraction and IR studies on new dinuclear copper macrocyclic complexes
Fulltext Access 10 Pages 2005
The isomers and conformers of some push-pull enamines studied by vibrational and NMR spectroscopy and by ab initio calculations
Fulltext Access 10 Pages 2005
Solvent effect and quantum chemical calculations of the electron energy levels for nitro derivatives of 2-(N-methylamino)-picolines
Fulltext Access 10 Pages 2005
NMR, FT-IR and ESI-MS study of new lasalocid ester with 2-(hydroxymethyl)-12-crown-4 and its complexes with monovalent cations
Fulltext Access 10 Pages 2005
New rare earth metal-rich indides RE14Ni3In3 (RE=Sc, Y, Gd–Tm, Lu)—synthesis and crystal chemistry
Fulltext Access 10 Pages 2005
Mass spectrometric and PM5 study of N-(2-pyridyl)-aminomethyldiphoshonic acids and their complexes with alkali cations
Fulltext Access 10 Pages 2005
Vibrational assignment and absolute integrated intensities of liquid bromobenzene-d5 between 4000 and 400 cm−1 at 25 °C
Fulltext Access 10 Pages 2005
Preparation, crystal structure and optical spectroscopy of the rare earth complexes (RE3+=Sm, Eu, Gd and Tb) with 2-thiopheneacetate anion
Fulltext Access 10 Pages 2005
Molecular recognition of amino acids with some fluorescent ditopic pyrylium- and pyridinium-based crown ether receptors
Fulltext Access 10 Pages 2005
Density functional theory assessment of the thermal degradation of diclofenac and its calcium and iron complexes
Fulltext Access 10 Pages 2005
Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate
Fulltext Access 10 Pages 2005
Different complexation behavior of a proton transfer compound obtained from 1,10-phenanthroline and pyridine-2,6-dicarboxylic acid with InIII and CeIII: Synthesis, crystal structures and solution studies
Fulltext Access 10 Pages 2005
Synthesis, characterization and computational modeling of cyclen substituted with dendrimeric branches. Dendrimeric and macrocyclic moieties working together in a collective fashion
Fulltext Access 10 Pages 2005
Solid-liquid equilibria of mixtures containing tert-butanol, m-chlorophenol, and p-chlorophenol and development of adductive crystallization processes
Fulltext Access 10 Pages 2005
New expressions for non-randomness in equation-of-state models
Fulltext Access 10 Pages 2005
Enhancement of liquid phase splitting of water + ethanol + ethyl acetate mixtures in the presence of a hydrophilic agent or an electrolyte substance
Fulltext Access 10 Pages 2005
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