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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Structure and properties of phospholipid-peptide monolayers containing monomeric SP-B1-25
Fulltext Access 12 Pages 2005
Potential energy surface survey towards prediction of a new radical [H2,Si,C,N]
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UV/Vis/NIR spectral properties of triarylamines and their corresponding radical cations
Fulltext Access 12 Pages 2005
Application of the encounter theory to the description of degenerate electron exchange reactions: spin kinetics at low magnetic fields
Fulltext Access 12 Pages 2005
Theoretical study of anharmonic vibrational spectra of HNO3, HNO3-H2O, HNO4: Fundamental, overtone and combination excitations
Fulltext Access 12 Pages 2005
Primary events in the bacteriorhodopsin photocycle: Torsional vibrational dephasing in the first excited electronic state
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Theoretical and spectroscopic studies of pyridyl substituted bis-coumarins and their new neodymium (III) complexes
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A combined spectroscopic and theoretical study of oxo- and thiono-sparteines
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Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study
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Quantum chemical study of the torsional motions for 9-vinylanthracene
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Mathematical functions for the analysis of luminescence decays with underlying distributions 1. Kohlrausch decay function (stretched exponential)
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An experimental and theoretical study of the photoelectron spectrum of hydrogen selenide
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The effects of H-F and H-D substitutions on Jahn-Teller effects and charge transfer in the monocations of B, N-substituted acenes
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Quantum-chemical insight into the design of molecular optoelectrical switch
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Interactions of amphotericin B derivative of low toxicity with biological membrane components-the Langmuir monolayer approach
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Thermal denaturation of the BRCT tandem repeat region of human tumour suppressor gene product BRCA1
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Effect of polyol osmolytes on ΔGD, the Gibbs energy of stabilisation of proteins at different pH values
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Simulation of the influences of bathing solution and crosslink density on the swelling equilibrium of ionic thermo-sensitive hydrogels
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AuPd alloy formation in Au-Pd/Al2O3 catalysts and its role on aromatics hydrogenation
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Surface properties and conductivity of bis(2-ethylhexyl) sulfosuccinate-containing polypyrrole
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Water adsorption on plasma sprayed transition metal oxides
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Subject Index
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Elementary processes at semiconductor/electrolyte interfaces: perspectives and limits of electron spectroscopy
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Effect of continuous and cyclic Rf plasma processing time on titanium surface
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Electrochemical synthesis of polythiophene on nickel coated mild steel and corrosion performance
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Photoinduced electronic energy transfer in modular, conjugated, dinuclear Ru(II)/Os(II) complexes
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On the behaviour of Ru(I) and Ru(II) carbonyl acetates in the presence of H2 and/or acetic acid and their role in the catalytic hydrogenation of acetic acid
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Di- and tri-nuclear molybdenum-palladium complexes bearing strong π-acceptor “P-N-P” ligands, MeN{P(OR)2}2 (R = CH2CF3 or Ph)
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Scope, mechanism and diene inhibition of isomerization of allylic alcohols to saturated ketones catalyzed by ruthenium(II)-cyclopentadienyl complexes
Fulltext Access 12 Pages 2005
Mechanistic studies on reaction of [ReH4(η2-H2)(Cyttp)]+ with ketones to give the hydrido-oxo complex [ReH2(O)(Cyttp)]+ (Cyttp = PhP(CH2CH2CH2PCy2)2)
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Reversible double insertion of aryl isocyanates into the Ti-O bond of titanium(IV) isopropoxide
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The cocondensation reaction of lithium atoms and anisole: an experimental and theoretical study of the reaction pathway
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Modification of aminoallenylidene complexes of chromium via exchange of the C3-bound amino group
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Nucleophilic addition to the η6-iridathiabenzene ligand in [η6-Cp*Ir(C,S-2,5-Me2T)]FeCp+
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Degradation and modification of metallaboranes. Part 4: Synthesis and characterization of a series of hybrid bimetallaborane clusters of the type [2,2,2-(PPh3)2(CO)-nido-2-OsB4H7-3-(BH2PPh2)CxHyPPh2RuCl2(p-cym)]
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Atomic resolution crystallography and XAFS
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Predicting the net donating ability of phosphines-do we need sophisticated theoretical methods?
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A Celebration of Inorganic Lives: Interview with Ilya I. Moiseev
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Composition and conduction mechanism of the surface oxide film on Ni-based alloys in molten hydroxide
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Iron-only hydrogenase: Synthetic, structural and reactivity studies of model compounds
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Oxygen self-diffusion through fine-grained polycrystalline films into single crystalline substrates-a mathematical description
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Composite solid polymer electrolytes with silicate nanophases
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Composite polymer electrolyte doped with mesoporous silica SBA-15 for lithium polymer battery
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Structural and transport influence of dissolving AgBr into AgI in super ionic and molten phases by molecular dynamics simulations
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Topological analysis of the electron density and of the electron localization function of pyrene and its radicals
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Influence of van der Waals wells on the quantum scattering dynamics of the Cl(2P) + HCl → ClH + Cl(2P) reaction
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Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes
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Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations
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Relativistic effects on experimentally studied gas-phase properties of the heaviest elements
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Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials
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Some recent applications of Fischer carbenemetal complexes in organic synthesis
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Palladium complexes containing ligands with hydrogen-bonding functionalities. Reactivity and catalytic studies with CO and olefins
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Bis(phosphinimino)methanides as ligands in divalent lanthanide and alkaline earth chemistry – synthesis, structure, and catalysis
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Titanium-catalyzed iminohydrazination of alkynes
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Transformation of C2 units on a bimetallic tetranuclear cluster.
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Redox reactions with bis(η6-arene) derivatives of early transition metals
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Metallacyclic complexes with ortho-silylated triphenylphosphine ligands, LnOs(κ2(Si,P)-SiMe2C6H4PPh2), derived from thermal reactions of the coordinatively unsaturated trimethylsilyl, methyl complex, Os(SiMe3)(Me)(CO)(PPh3)2
Fulltext Access 12 Pages 2005
Syntheses and molecular structures of group 8 benzonitrile complexes
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Reactivity of bis(η6-arene) derivatives of titanium, vanadium and niobium with fulvenes bearing electron-withdrawing substituents
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In search of triplet ground state GeCNX germylenes (X = H, F, Cl, and Br): An ab initio and DFT study
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Triphenylphosphine-substituted selenido and sulfido clusters of osmium derived from Ph3PSe or Ph3PS
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The spectra, structures and electrochemistry of Ni(η5-C5H5)(PPh3)–CC–Ar complexes, and their reactions with Co2(CO)8
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Electronic structure and electrophilic reactivity of discrete copper diphenylcarbenes
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Ligand and solvent effects on cobalt(I)-catalysed reactions: Alkyne dimerisation versus [2+2+2]-cyclotrimerisation versus Diels–Alder reaction versus [4+2+2]-cycloaddition
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Synthesis of electron-rich platinum centers: Platinum0(carbene)(alkene)2 complexes
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A convenient route to six-membered heterocyclic carbene complexes: Reactions of aminoallenylidene complexes with 1,3-bidentate nucleophiles
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Phosphorus-substituted carbene complexes: Chelates, pincers and spirocycles
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The theoretical research of the medium effect on the vibrational spectrum and the energy of intramolecular coordination O → Si in (benzoyloxymethyl)trifluorosilane molecule
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Supraphos: A supramolecular strategy to prepare bidentate ligands
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Non-metallocene rare earth metal catalysts for the diastereoselective and enantioselective hydroamination of aminoalkenes
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The influence of halogens on the electronic system of biologically important ligands: spectroscopic study of halogenobenzoic acids, halogenobenzoates and 5-halogenouracils
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Gold acyls and imidoyls prepared from anionic Fischer-type carbene complexes
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Spin density distribution in transition metal complexes
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Chemical and biological aspects of Cu2+ interactions with peptides and aminoglycosides
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Aryloxo and thiolato vanadium complexes as chemical models of the active site of vanadium nitrogenase
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Reactions of pyridyl donors with halogens and interhalogens: an X-ray diffraction and FT-Raman investigation
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Electron-beam modification of textile fabrics for hydrophilic finishing
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Surface reaction kinetics of metal β-diketonate precursors with O radicals in radical-enhanced atomic layer deposition of metal oxides
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Laser manipulation of clusters, structural defects and nanoaggregates in barrier structures on silicon and binary semi-conductors
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Oxidation protection of copper surfaces using self-assembled monolayers of octadecanethiol
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The role of interorbital interference in the formation of STS spectra
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CVD-zirconia on fumed silica and silica gel
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Pressure dependence of radical densities in various gas discharges
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Adsorption and catalysis: The effect of confinement on chemical reactions
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The influence of a small amount of active sites on the adsorption kinetics of nitrogen on ruthenium
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Evaluation of adsorption energy distribution of microporous materials by a multivariant identification
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High resolution quantitative SIMS analysis of shallow boron implants in silicon using a bevel and image approach
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Synthesis and structural characterization of fluorenyltris(pyrazol-1-yl)borate ligands as new examples of cyclopentadienyl/scorpionate hybrid ligands
Fulltext Access 12 Pages 2005
Proton exchange membranes prepared by radiation grafting of styrene/divinylbenzene onto poly(ethylene-alt-tetrafluoroethylene) for low temperature fuel cells
Fulltext Access 12 Pages 2005
Tricarbonylmanganese(I) derivatives of [Di(pyrazolyl)(2-pyridyl)methyl]aryl scorpionates
Fulltext Access 12 Pages 2005
Syntheses and structural characterizations of rhenium carbonyl complexes of a bitopic ferrocene-linked bis(pyrazolyl)methane ligand
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The variation of coordination modes of aromatic imines in iron carbonyl complexes: Is there a correlation between bond lengths in organometallic model compounds and the reactivity of the ligands in catalytic C–C bond formation reactions?
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Alkyl-rhodium transition state stabilities as a tool to predict regio- and stereoselectivity in the hydroformylation of chiral substrates
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Synthesis, characterization, reactivity and theoretical studies of ruthenium carbonyl complexes containing ortho-substituted triphenyl phosphanes
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Study of homo- and cross-coupling competition in the reaction of triarylbismuth(V) dicarboxylates with methyl acrylate in the presence of a palladium catalyst
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Diastereoselective synthesis of α,α′-disubstituted β-ketophosphonates derivatives as building blocks for automated syntheses
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Biolabile constructs for pronucleotide design
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Novel functionalised P-ligands: advances and application
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Organoselenium(II) and selenium(IV) compounds containing 2-(Me2NCH2)C6H4 moieties: solution behavior and solid state structure
Fulltext Access 12 Pages 2005
Toward a general method for CCC N-heterocyclic carbene pincer synthesis: Metallation and transmetallation strategies for concurrent activation of three C–H bonds
Fulltext Access 12 Pages 2005
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