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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Investigation on steric effect in the coordination of S, N and O donor heterocycle to organotin(IV): Syntheses and crystal structures of triorganotin(IV) derivatives with 5-phenyl-1,3,4-oxadiazole-2-thiol
Fulltext Access 8 Pages 2005
1H NMR studies of paramagnetic ferricytochrome c-551 from Pseudomonas aeruginosa at high pH: The role of histidine 16 in the spin transition
Fulltext Access 8 Pages 2005
Synthesis and characterization of some mono- and dinuclear molybdenum(VI) thiosemicarbazonato complexes
Fulltext Access 8 Pages 2005
Linking thione-ligated copper(I) centres with trans-1,2-bis(diphenylphosphino)ethene (trans-dppen): crystal structures of the pyrimidine-2-thione derivatives [CuBr(μ2-trans-dppen)(pymtH)]2 and [CuI(μ2-trans-dppen)(pymtH)]2
Fulltext Access 8 Pages 2005
Synthesis, crystal structure, and magnetic properties of binuclear MnIII-azido and 1D polymeric MnII-μ1,3-thiocyanato novel species based on a neutral hexadentate Schiff base
Fulltext Access 8 Pages 2005
Azido-bridged Cu(II) compounds with asymmetric end-to-end and end-on binding modes: magnetic assignments using a spin dimer model
Fulltext Access 8 Pages 2005
One-dimensional coordination polymer [Co(H2O)4(pyz)](NO3)2 · 2H2O (pyz = pyrazine) with intra- and inter-chain H-bonds: structure, electronic spectral studies and magnetic properties
Fulltext Access 8 Pages 2005
Synthesis, spectroscopic and electrochemical properties of some heteroleptic tris-chelates of ruthenium (II) involving 2,2′-bipyridine (bpy) and N-(aryl) pyridine-2-aldimine(L): X-ray crystal structures of [Ru(bpy)(L2)2](ClO4)2 · H2O and 3-N(4-tolyl)
Fulltext Access 8 Pages 2005
Structure and magnetic properties of one-dimensional metal complexes constructed from alternating dicyanamide linked through binuclear metal tetra-2-pyridylpyrazine subunits
Fulltext Access 8 Pages 2005
Kinetics of oxidation of l-histidine by tetrachloroaurate(III) ion in perchloric acid solution
Fulltext Access 8 Pages 2005
Preparation, characterization and X-ray structure determinations of the 2-acetyl-2-thiazoline schiff base of hydrazine (ATH) and its cadmium(II) complex [Cd(NO3)2(ATH)2]
Fulltext Access 8 Pages 2005
Synthesis and characterization of new metal-free and metallophthalocyanines containing spherical or cylindrical macrotricyclic moieties
Fulltext Access 8 Pages 2005
Syntheses, characterization and crystal structures of diorganotin compounds with 2-mercaptopyrimidine and 4-amino-2-mercaptopyrimidine
Fulltext Access 8 Pages 2005
Electrochemistry of nickel(II) complexes with N,N′-bis(3,5-di-tert-butylsalicylidene)polymethylenediamines
Fulltext Access 8 Pages 2005
Syntheses, spectra, crystal structures and magnetic properties of molecular solids based on the M(mnt)2- ion (M = Ni, Pt)
Fulltext Access 8 Pages 2005
Synthesis and characterization of new polynuclear lanthanide coordination polymers with 4,4′-oxybis(benzoic acid)
Fulltext Access 8 Pages 2005
Potentiometric and spectroscopic studies on copper(II) complexes of non-proteinogenic histidine analogues
Fulltext Access 8 Pages 2005
Synthesis, electrochemical, and spectroelectrochemical properties of tetrakis(13,17-dioxa nonacosane-15-sulphanyl) phthalocyaninato zinc(II)
Fulltext Access 8 Pages 2005
Syntheses and X-ray crystal structures of monomeric zinc and mercury bis(silylamides)
Fulltext Access 8 Pages 2005
Cobalt(II)-azoimidazole complexes: Structures of [Co(MeaaiMe)4](ClO4)2 · H2O and [Co(HaaiMe)2(NCS)2] (MeaaiMe = 1-methyl-2-(p-tolylazo)imidazole; HaaiMe = 1-methyl-2-(phenylazo)imidazole)
Fulltext Access 8 Pages 2005
Ruthenium complexes containing the hemilabile ligand PPh2(CH2)P(O)PPh2 (dppmO): reactivity towards CO and X-ray molecular structures of tcc-RuCl2(η2-dppmO)2 and mer-RuCl3(η1,η2-dppmO)2
Fulltext Access 8 Pages 2005
Synthesis and spectroscopic characterisation of new nickel (II) complexes with 5-methyl-3-formylpyrazole-3-piperidinylthiosemicarbazone (HMPz3Pi): X-ray structures of HMPz3Pi and [Ni(HMPz3Pi)2]Cl2 · 2H2O with indication for unusual rotation about the a
Fulltext Access 8 Pages 2005
Spectroscopic and crystal structure data of the alkali-, thallium (I) and onic-salts of dimethyl-N-trichloracetylamidophosphate
Fulltext Access 8 Pages 2005
Synthesis, crystal structures and spectroscopic characterization of [Ti8O8(OOCR)16] (where R = But, CH2But, C(CH3)2Et)
Fulltext Access 8 Pages 2005
The effect of various substituents on the structural parameters of the P(O)[N(CH3)(CH2C6H5)]2 moiety. Syntheses and spectroscopic characterization of some new phosphoramidates, crystal structures of P(O)(X)[N(CH3)(CH2C6H5)]2, X = C6H5C(O)NH, Cl and CCl3
Fulltext Access 8 Pages 2005
Highly efficient orange-emitting OLEDs based on phosphorescent platinum(II) complexes
Fulltext Access 8 Pages 2005
Synthesis and structural characterization of (pyrazolyl)alkenyl Fischer carbene complexes of chromium and tungsten
Fulltext Access 8 Pages 2005
Magnetic measurements, UV-Vis spectroscopy, and XAS of dinuclear nickel(II) complexes of bistetraazamacrocycles
Fulltext Access 8 Pages 2005
Pseudotetrahedral cobalt(II) complexes with thiazoline and thiazine derivative ligands: synthesis and characterization
Fulltext Access 8 Pages 2005
Coordination properties of a dicompartmental ligand with tetra- and hexadentate coordination sites towards copper (II) and nickel (II) ions
Fulltext Access 8 Pages 2005
Bis(μ-alkoxo)-bridged dinuclear iron(III) complexes of pyrazole-based ligands as models for iron-oxo proteins
Fulltext Access 8 Pages 2005
Bonding of copper(II) ions by proctolin analogues modified in fifth position of the peptide chain
Fulltext Access 8 Pages 2005
Reactions of [ReX5(NO)]2− with triphenylstibine. Spectroscopic investigations of [ReX2(NO)(SbPh3)3], X-ray structures of [ReCl2(NO)(SbPh3)3] and [ReBr2Cl(SbPh3)3] and DFT calculations for [ReCl2(NO)(SbPh3)3]
Fulltext Access 8 Pages 2005
Diphenyltin(IV) complexes of the 2-quinolinecarboxaldehyde Schiff bases of S-methyl- and S-benzyldithiocarbazate (Hqaldsme and Hqaldsbz): X-ray crystal structures of Hqaldsme and two conformers of its diphenyltin(IV) complex
Fulltext Access 8 Pages 2005
Manganese(II) complexes of pyridyl-azo-imidazoles. Single crystal X-ray structures of 3′-PyaiH and [Mn(3′- PyaiEt)4](ClO4)2 (3′-PyaiH = 2-(3′-pyridylazo)imidazole; 3′-PyaiEt = 1-ethyl-2-(3′-pyridylazo)imidazole)
Fulltext Access 8 Pages 2005
Synthesis, properties and gas phase collision-induced dissociation of the heptanuclear doubly bridged complex [Ru(bpy)2(BPE)2{Ru3O(CH3COO)6(py)2}2](PF6)4
Fulltext Access 8 Pages 2005
Podand hexamines and the synthesis of pendent-arm tetra-azamacrocycles
Fulltext Access 8 Pages 2005
Synthesis, EPR and biological activities of bis(1-n-butylamidino-O-alkylurea)copper(II)chloride complexes: EPR evidence for binuclear complexes in frozen DMF solution
Fulltext Access 8 Pages 2005
Silver(I) interaction and complexation with sterically hindered sulfur-containing diphenol derivatives
Fulltext Access 8 Pages 2005
The formation, precipitation and structural characterisation of hydroxyaluminosilicates formed in the presence of fluoride and phosphate
Fulltext Access 8 Pages 2005
Studies of the interaction between adenosine 5′-triphosphate and [Rh2(OAc)2(phen)2(H2O)2](OAc)2
Fulltext Access 8 Pages 2005
Coordination chemistry of Co(III) complexes of an azetidine-derived quadridentate amine and a related macrocycle
Fulltext Access 8 Pages 2005
Chelating N,N′-(bis(pyridin-2-yl)alkylidene)propane-1,3-diamine pseudohalide copper(II) and cadmium(II) coordination compounds: Synthesis, structure and luminescence properties of [M(bpap)(X)]ClO4 and [M(bpap)(X)2] [M = Cu, Cd; X=N3-, NCS−]
Fulltext Access 8 Pages 2005
Estimate of the electron exchange rate constant for the 6-molybdocobaltate(III)/(II) couple from studies on the oxidation with iodide using Marcus theory
Fulltext Access 8 Pages 2005
Laser ablation generation of arsenic and arsenic sulfide clusters
Fulltext Access 8 Pages 2005
prelims, contents pages
Fulltext Access 8 Pages 2005
Synthesis, luminescent, redox and catalytic properties of Ru(II) carbonyl complexes containing 2N2O donors
Fulltext Access 8 Pages 2005
Mononuclear and binuclear ruthenium(II) complexes with 4-(phenyl) thiosemicarbazone of benzaldehyde: A discussion on the relative stabilities of the four-membered and five-membered chelate rings formed by the ligand
Fulltext Access 8 Pages 2005
Two-dimensional hydrogen bonded sheet structures in nickel(II)- and zinc(II)-2,2′-dipyridylamine-azido complexes
Fulltext Access 8 Pages 2005
Two new 3D network structures: [Cd3(nic)4(N3)2(H2O)]n and [Zn(nic)(N3)]n (nic = nicotinate anion)
Fulltext Access 8 Pages 2005
Structural studies of 4-aminoantipyrine derivatives
Fulltext Access 8 Pages 2005
Evaluation of the odor activity of pyrazine derivatives using structural and electronic parameters derived from conformational study by molecular mechanics (MM3) and ab initio calculations
Fulltext Access 8 Pages 2005
B3LYP study of the conformers and rotamers of isostructural N-methylpiperidine betaine hydrochloride and (1-methylcyclohexyl)-acetic acid. The effect of electrostatic attraction on rotation barriers
Fulltext Access 8 Pages 2005
Study on the intermolecular interactions of alkylcobaloxime complexes (RCo(dmgH)2L, dmgH=dimethylglyoxime, R=alkyl, L=H2O or pyridine)
Fulltext Access 8 Pages 2005
Ion pairing, H-bonding, and π-π interactions in copper(II) complex-organo-networks derived from a proton-transfer compound of the 1,10-phenanthroline-2,9-dicarboxylic acid
Fulltext Access 8 Pages 2005
Structure and photochromic properties of single crystals of spiropyran salts
Fulltext Access 8 Pages 2005
Two novel lanthanide 1-D chain coordination polymers of pyridinedicarboxylic acids: hydrothermal synthesis, structure and luminescent properties
Fulltext Access 8 Pages 2005
Syntheses, crystal structure and ab initio calculations of two new phosphoric triamides
Fulltext Access 8 Pages 2005
Synthesis, crystal structure and properties of three new holmium 2-fluorobenzoato complexes
Fulltext Access 8 Pages 2005
Molecular structure of segnitite: A Raman spectroscopic study
Fulltext Access 8 Pages 2005
Cationic cobaltammines as anion receptors: Synthesis and characterization of [Co(NH3)6](4-np)3.4H2O, [Co(NH3)6](2,4-dnp)3 and [Co(NH3)6](2,4,6-tnp)3 (where np=nitrophenolate, dnp=dinitrophenolate, tnp, trinitrophenolate), single crystal X-ray structure an
Fulltext Access 8 Pages 2005
Potassium beryllium selenate dihydrate, K2Be(SeO4)2·2H2O: Preparation, structure and infrared spectroscopy
Fulltext Access 8 Pages 2005
Infrared and Raman spectra of magnesium ammonium phosphate hexahydrate (struvite) and its isomorphous analogues. III. Spectra of protiated and partially deuterated magnesium ammonium phosphate hexahydrate
Fulltext Access 8 Pages 2005
Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside
Fulltext Access 8 Pages 2005
The molecular structure of ScI3 and Sc2I6 determined by gas-phase electron diffraction and theoretical studies
Fulltext Access 8 Pages 2005
Second-sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterization, crystal structures and packing of cis-diazidobis(ethylenediamine)cobalt(III) cations with complex fluoroanions
Fulltext Access 8 Pages 2005
Synthesis and characterization of phenoxyphosphazenes. Structure of 2,2-[2,2′-metheylenebis(4-chlorophenoxy)]-4,4,6,6-tetrachlorocyclo-2λ5,4λ5,6λ5-triphosphazatriene (spiro)
Fulltext Access 8 Pages 2005
NMR and theoretical study of the (CO)-N rotational barrier in the isomers cis- and trans- 2-N,N-dimethylaminecyclohexyl 1-N′,N′-dimethylcarbamate
Fulltext Access 8 Pages 2005
FTIR, TGA and DC electrical conductivity studies of phthalocyanine and its complexes
Fulltext Access 8 Pages 2005
Phosphorus-nitrogen compounds: New spiro-cyclic phosphazene derivatives. Structure of 4′,4′,6′,6′-tetrachloro-3,4-dihydro-3-(3-methylpyridin-2-yl)spiro-[1,3,2-benzoxazaphosphinine-2,2′-(2λ5,4λ5,6λ5-cyclotriphosphazene)]. Part XII
Fulltext Access 8 Pages 2005
Structure in solid state of 3,3′-diindolylmethane derivatives, potent cytotoxic agents against human tumor cells, followed X-ray diffraction and 13C CP/MAS NMR analyses
Fulltext Access 8 Pages 2005
Synthesis, spectral and structural characterization of zinc(II) methacrylate complexes with sparteine and α-isosparteine: The role of hydrogen bonds and dipolar interactions in stabilizing the molecular structure
Fulltext Access 8 Pages 2005
On the structure and spectroscopic properties of two 13-hydroxylupanine epimers
Fulltext Access 8 Pages 2005
A study on the binding of two water-soluble tetrapyridinoporphyrazinato copper(II) complexes to DNA
Fulltext Access 8 Pages 2005
1H, 13C NMR spectral and single crystal structural studies of toxaphene congeners. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts
Fulltext Access 8 Pages 2005
Covalent grafting of copper-amino acid complexes onto chloropropylated silica gel-an FT-IR study
Fulltext Access 8 Pages 2005
Solvothermal synthesis of three new dimeric thiogermanates (enH)4Ge2S6, [Mn(en)3]2Ge2S6 and [Ni(en)3]2Ge2S6 from germanium dioxide and sulfur powder
Fulltext Access 8 Pages 2005
Structural refinement of Nd[Fe(CN)6]·4H2O and study of NdFeO3 obtained by its oxidative thermal decomposition at very low temperatures
Fulltext Access 8 Pages 2005
Novel protonated and hydrated n=1 Ruddlesden-Popper phases, HxNa1−xLaTiO4·yH2O, formed by ion-exchange/intercalation reaction
Fulltext Access 8 Pages 2005
A new layered cobaltite (Ga1/3Co2/3)2Sr2CoO6+δ with high spin Co3+: modulated structure and physical properties
Fulltext Access 8 Pages 2005
Rapid synthesis of ultrafine K2Ln2Ti3O10 (Ln=La, Nd, Sm, Gd, Dy) series and its photoactivity
Fulltext Access 8 Pages 2005
Hydrothermal reversible interconversion of two zincophosphates with three-dimensional open frameworks containing diprotonated 1,4-diazacycloheptane molecules
Fulltext Access 8 Pages 2005
The Al3+ stabilized phase Li3−3xAlxBO3
Fulltext Access 8 Pages 2005
Synthesis and structural characterization of a new open-framework zinc terephthalate Zn3(OH)2(bdc)2·2DEF, with infinite Zn-(μ3-OH)-Zn chains
Fulltext Access 8 Pages 2005
The effects of the spinodal microstructure on the electrical properties of TiO2-SnO2 ceramics
Fulltext Access 8 Pages 2005
Effect of the synthesis conditions on the magnetic and electrical properties of the BaFeO3−x oxide: A metamagnetic behavior
Fulltext Access 8 Pages 2005
Sol-gel derived hydroxyapatite coatings on titanium and its alloy Ti6Al4V
Fulltext Access 8 Pages 2005
Raman, IR and thermal study of a new highly biocompatible phosphorylcholine-based contact lens
Fulltext Access 8 Pages 2005
Synthesis, structural and solvent influence studies on solvatochromic of acetylacetonatocopper(II) with N,N′-dibenzylic or thiophene derivatives of ethylenediamine complexes
Fulltext Access 8 Pages 2005
Multinuclear magnetic resonance studies of gaseous and liquid dimethyl ethers
Fulltext Access 8 Pages 2005
Investigation of 4′-n-alkyl-4-cyanobiphenyls structure features by IR spectroscopy methods
Fulltext Access 8 Pages 2005
Experimental and theoretical infrared spectra of famotidine and its interaction with ofloxacin
Fulltext Access 8 Pages 2005
Experimental and theoretical IR, Raman, NMR spectra of 2-, 3- and 4-aminobenzoic acids
Fulltext Access 8 Pages 2005
Vibrational spectrum of methoxytrimethylsilane
Fulltext Access 8 Pages 2005
Spectral detection of J-aggregates of cationic porphyrin and investigation of conditions of their formation
Fulltext Access 8 Pages 2005
Remote detection and quantification of hot molecular combustion products-experimental instrumentation and determination of optimal infrared spectral micro-windows
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Synthesis of carbonated hydroxyapatites: efficiency of the substitution and critical evaluation of analytical methods
Fulltext Access 8 Pages 2005
Solid state characterization of hydroxyprocaine hydrochloride. Crystal polymorphism of local anaesthetic drugs, part VIII
Fulltext Access 8 Pages 2005
Syntheses and characterization of four heterometallic Ln-Co or Ln-Ni heptanuclear clusters with glycine as ligand
Fulltext Access 8 Pages 2005
Two new layered lead(II) diphosphonates with 1,3,5-benzenetricarboxylate ligands as an intercalated species or a multidentate metal linker
Fulltext Access 8 Pages 2005
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