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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Two-photon excited fluorescence depolarisation experiments: II. The proper response function for analysing TCSPC data
Fulltext Access 10 Pages 2005
Up-conversion emission in rare earth-doped Y2Ti2O7 sol-gel thin films
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Electron momentum spectroscopy of valence satellites of neon
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Electron detachment spectroscopic study on carbon and silicon cluster anions
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Characterization of advanced gate stacks for Si CMOS by electron energy-loss spectroscopy in scanning transmission electron microscopy
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Angle resolved imaging of polymer blend systems: From images to a 3D volume of material morphology
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Author Index
Fulltext Access 10 Pages 2005
Author Index
Fulltext Access 10 Pages 2005
Author Index
Fulltext Access 10 Pages 2005
Author Index
Fulltext Access 10 Pages 2005
Density functional and coupled cluster calculations of dynamic hyperpolarizabilities and their geometry derivatives
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π-electronic charge-transfer interactions in supramolecular complex formation between fullerenes and 5,10,15,20-tetrahexylporphyrin
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Interpretation of vicinal spin-spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles
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Upconversion from the 4I13/2 and 4I11/2 levels in Er:YAG
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Author Index
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Absorption and emission spectroscopic characterization of Ir(ppy)3
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Photo-induced degradation of some flavins in aqueous solution
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Intra- and intermolecular hydrogen bonding in formohydroxamic acid complexes with water and ammonia: infrared matrix isolation and theoretical study
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Self-interaction error in density functional theory: a mean-field correction for molecules and large systems
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Core excitations in MgO: a DFT study with cluster models
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Direct ab initio molecular dynamics study of the two photodissociation channels of formic acid
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Classical treatments of quantum mechanical effects in collisions of weakly bound complexes
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A multiproperty analysis of the OH + H2(D2,HD) potential energy surface
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Spectroscopic properties of K5Li2UF10
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Infrared study of 1-octanol liquid structure
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Optimal control of coupled spin dynamics: design of NMR pulse sequences by gradient ascent algorithms
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SIMQUADNMR: a program for simulation and interpretation of multiple quantum-filtered NMR spectra of quadrupolar nuclei
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Numerical simulation of PRESS localized MR spectroscopy
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Computing the B1 field of the toroidal MRI coil
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Homo-nuclear 13C J-decoupling in uniformly 13C-enriched solid proteins
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NMR spectroscopy in inhomogeneous B0 and B1 fields with non-linear correlation
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Magnetic resonance in systems with equivalent spin-1/2 nuclides. Part 1
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Planar microresonators for EPR experiments
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On-resonance low B1 pulses for imaging of the effects of PARACEST agents
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High frequency single-mode resonators for EPR spectroscopy enabling rotations of the sample about two orthogonal axes
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Structural anisotropy and internal magnetic fields in trabecular bone: Coupling solution and solid dipolar interactions
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An analytical methodology for magnetic field control in unilateral NMR
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Cumulative “roof effect” in high-resolution in vivo 31P NMR spectra of human calf muscle and the Clebsch-Gordan coefficients of ATP at 1.5 T
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Multiple bonds to gold: a theoretical investigation of XAuC (X = F, Cl, Br, I) molecules
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Backbone-only restraints for fast determination of the protein fold: The role of paramagnetism-based restraints. Cytochrome b562 as an example
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Detection of intracellular lactate with localized diffusion {1H-13C}-spectroscopy in rat glioma in vivo
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Transport of optical excitations on dendrimers in the continuum approximation
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Inert and stable erbium(III)-cored complexes based on metalloporphyrins bearing aryl-ether dendron for optical amplification: synthesis and emission enhancement
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Spectroscopic characterizations of non-amphiphilic 2-(4-biphenylyl)-6-phenyl benzoxazole molecules at the air-water interface and in Langmuir-Blodgett films
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Influences of matrices and concentrations on luminescent characteristics of Eu(TTA)3(H2O)2/polymer composites
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Synthesis, characterization and spectroscopic study of Eu(III) complexes with 3-aminopicolinic acid derivatives
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Luminescent properties of ZnS:Mn2+ nanocrystals/SiO2 hybrid phosphor synthesized by in situ surface modification co-precipitation
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Development of luminescent Sm(III) chelates containing hexadentate to nonadentate ligands: synthesis, photophysical properties and coupling to biomolecules
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Theory of photoinduced charge separation in solids
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Single-crystalline films of Ce-doped YAG and LuAG phosphors: advantages over bulk crystals analogues
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Structure and properties of phospholipid-peptide monolayers containing monomeric SP-B1-25
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Phase transition, molecular motions, structural changes and low-frequency vibrations in [Cu(NH3)5](ClO4)2
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Molecular dynamics of ethisterone studied by 1H NMR, IINS and quantum mechanical calculations
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Lattice modes of hexamethylbenzene studied by inelastic neutron scattering
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Charge transport through image charged stabilized states in a single molecule single electron transistor device
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Incoherent charge hopping and conduction in DNA and long molecular chains
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Organization of supramolecular assemblies of fullerene, porphyrin and fluorescein dye derivatives on TiO2 nanoparticles for light energy conversion
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Self-inhibition phenomena in the electroreduction of hexamolybdocobaltate(III): A combined experimental and computational study
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Counterion diffusivity measurements support ion atmosphere relaxation control of electron transfer rates in a semi-solid ruthenium complex molten salt
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Time-resolved measurements of the external electric field effects on fluorescence in electron donor and acceptor pairs of N-ethylcarbazole and dimethyl terephthalate doped in a polymer film
Fulltext Access 10 Pages 2005
The analysis of the derivation principles of kinetic equations based on exactly solvable models of the bulk reaction A + B → Product
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Ultrafast magnetization dynamics in ferromagnetic cobalt: The role of the anisotropy
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Effect of nonenzymatic glycation on functional and structural properties of hemoglobin
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Beyond classical molecular dynamics: Simulation of quantum-dynamics effects at finite temperatures; the case of condensed molecular hydrogen
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Towards a new therapeutic target: Helicobacter pylori flavodoxin
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Relevant distance between two different instances of the same potential energy in protein folding
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ITC in the post-genomic era…? Priceless
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Glycolytic oscillations and waves in an open spatial reactor: Impact of feedback regulation of phosphofructokinase
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Speciation of phytate ion in aqueous solution. Dimethyltin(IV) interactions in NaClaq at different ionic strengths
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Characterisation of passive films formed on low carbon steel in borate buffer solution (pH 9.2) by electrochemical impedance spectroscopy
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Measurement of particle velocity and characterization of deposition in aluminum alloy kinetic spraying process
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The structure of n-alkane binary mixtures adsorbed on graphite
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Modulation of refractive index and thickness of poly(methyl methacrylate) thin films with UV irradiation and heat treatment
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Spray pyrolysis deposition of YSZ and YSZ-Pt composite films
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Plasma-electrolytic formation, composition and catalytic activity of manganese oxide containing structures on titanium
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Subject Index
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An ab initio study of the electronic spectrum of Zn2 including spin-orbit coupling
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Even tempered basis sets for four-component relativistic quantum chemistry
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Structural investigation of water-acetonitrile mixtures: An ab initio, molecular dynamics and X-ray diffraction study
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Ultrafast photochemistry of cyclopentadiene: Competing hydrogen migration and electrocyclic ring closure
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A DFT study on the deprotonation antioxidant mechanistic step of ortho-substituted phenolic cation radicals
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Yield of photo-adduct formation of LOV domains from Chlamydomonas reinhardtii by picosecond laser excitation
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Jahn-Teller vibronic coupling in II-VI compounds with Cr2+ ion
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Interaction of triplet uracil and thymine with water
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DFT benchmark study for the oxidative addition of CH4 to Pd. Performance of various density functionals
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Theoretical study of H3AXH3 and H3AYH2 (A = B, Al, Ga; X = N, P, As and Y = O, S, and Se), electrostatic and hyperconjugative interactions roles
Fulltext Access 10 Pages 2005
On the tautomerism, planarity, and vibrations of phospholes
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Theoretical and experimental resonance Raman study of the fluorene radical cation
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IRRS, UV-Vis-NIR absorption and photoluminescence upconversion in Ho3+-doped oxyfluorophosphate glasses
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Cationic surfactants/copoly(styrene oxide-ethylene oxide) systems: A physico-chemical investigation
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Excitation energy transfer in a weakly coupled system: Studies with time-resolved fluorescence microscopy and laser induced transient grating techniques
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The lowest singlet, triplet, and quintuplet electronic states of SiC
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Understanding optimal control results by reducing the complexity
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Theoretical structure of the low lying electronic states of yttrium fluoride YF
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Photodissociation of HBr on the surface of Arn clusters at 193 nm
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A quasiclassical trajectory study for the N(4S)+O2(X3Σg-)→NO(X2Π)+O(3P) atmospheric reaction based on a new ground potential energy surface
Fulltext Access 10 Pages 2005
Theoretical study of the interaction between cytosine and hydrogen peroxide
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Nonextensive mean-field theory for ferroelectric nematic liquid crystal phases
Fulltext Access 10 Pages 2005
Investigating the role of cationic vacancy on the MgO (0 0 1) defect surface: Embedded cluster models study
Fulltext Access 10 Pages 2005
Diffusion of water in clays - microscopic simulation and neutron scattering
Fulltext Access 10 Pages 2005
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