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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Curvature radius analysis for scanning probe microscopy
Fulltext Access 13 Pages 2005
How does the N-acylation and esterification of amphotericin B molecule affect its interactions with cellular membrane components-the Langmuir monolayer study
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Density functional theory studies on the Raman and IR spectra of meso-tetraphenylporphyrin diacid
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Modelling dewatering behaviour through an understanding of solids formation processes
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Ion redistribution and meniscus stability at Langmuir monolayer deposition
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Pd nanoclusters at the MgO(1 0 0) surface
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Structure of Si(1 1 4) determined by global optimization methods
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Structure of chromium oxide ultrathin films on Ag(1 1 1)
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Methanol adsorption on silicon (0 0 1)
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An AFM, XPS and electrochemical study of molecular electroactive monolayers formed by wet chemistry functionalization of H-terminated Si(1 0 0) with vinylferrocene
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Mechanisms of preferential adsorption on the Si(1 1 1)7 × 7 surface
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Scanning tunneling microscopy study of terminal oxygen structures on WO3(1 0 0) thin films
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Structural study of thin films of neutral and potassium-doped oligophenylenes on Cu(1 0 0)
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Proposed model for the flagellar rotary motor
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Density functional theory studies of the structure and electronic structure of pure and defective low index surfaces of ceria
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Surface and transport properties of Ag-Cu liquid alloys
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In situ CO oxidation on well characterized Pt3Sn(hkl) surfaces: A selective review
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Dynamics induced by electronic transitions: Finite-temperature relaxation of self-trapped excitons to defects in NaCl
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Laser-induced diffusion of oxygen on a stepped Pt(1 1 1) surface
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An electron spectroscopy study of a-C:H films produced by PACVD in a CH4-CO2 gas mixture
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Three-dimensional elastic lattice model of heteroepitaxy
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The electronic structure of alkali doped alkaline earth metal oxides: Li doping of MgO studied with DFT-GGA and GGA + U
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Structure and decomposition pathways of vinyl acetate on Pd(1 1 1)
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Heats of adsorption of Pb on pristine and electron-irradiated poly(methyl methacrylate) by microcalorimetry
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Electron-stimulated dissociation of molecular N2 adsorbed on Ru(1 0 9): A TPD and IRAS investigation
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Interactions of Pluronics with phospholipid monolayers at the air-water interface
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An EXAFS and TRLFS investigation on uranium(VI) sorption to pristine and leached albite surfaces
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Competitive sorption of protons and metal cations onto kaolinite: experiments and modeling
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Properties and structure of manganese oxide-coated clay
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Adsorption isotherms of associating asphaltenes at oil/water interfaces based on the dependence of interfacial tension on solvent activity
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Physicochemical investigations of microemulsification of eucalyptus oil and water using mixed surfactants (AOT + Brij-35) and butanol
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Drag force on a rigid spheroidal particle in a cylinder filled with Carreau fluid
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Effect of chain lengths of PEO-PPO-PEO on small unilamellar liposome morphology and stability: an AFM investigation
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Lateral separation of colloids or cells by dielectrophoresis augmented by AC electroosmosis
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Simulations of a dielectrophoretic membrane filtration process for removal of water droplets from water-in-oil emulsions
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Rheological properties of nanopowder alumina coated with adsorbed fatty acids
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Electrokinetic phenomena at grafted polyelectrolyte layers
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Oilfield solids and water-in-oil emulsion stability
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A simple chemical view of relaxations at stoichiometric (1 1 0) surfaces of rutile-structure type oxides: A first-principles study of stishovite, SiO2
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Electroosmotic flow in microchannels with arbitrary geometry and arbitrary distribution of wall charge
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Silane adsorption onto cellulose fibers: Hydrolysis and condensation reactions
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Remarkable influence of surface composition and structure of oxidized iron layer on orange I decomposition mechanisms
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Molecular-level investigation into copper complexes on vermiculite: Effect of reduction of structural iron on copper complexation
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Electrokinetic transport of rigid macroions in the thin double layer limit: A boundary element approach
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A novel viscoelastic system from a cationic surfactant and a hydrophobic counterion
Fulltext Access 13 Pages 2005
Bimetallic nanoparticles: A single step synthesis, stabilization, and characterization of Au-Ag, Au-Pd, and Au-Pt in sol-gel derived silicates
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Heterogeneous Do-Do model of water adsorption on carbons
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Cluster aggregation and fragmentation kinetics model for gelation
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Knowledge-based reconstruction of random porous media
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Calculation of the dynamic impedance of the double layer on a planar electrode by the theory of electrokinetics
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Ab initio and DFT computer studies of complexes of trimethylphosphine and products of substituted phosphonium cations with hydroxide, chloride and fluoride anions: Phosphorus analogues of choline and acetylcholine
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The growth of protective ultra-thin alumina layers on γ-TiAl(1 1 1) intermetallic single-crystal surfaces
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Solid-state NMR characterisation of the thermal transformation of a Hungarian white illite
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High-speed 1H MAS NMR investigations of the weathered surface of a phosphate glass
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A high-resolution 19F NMR spectroscopic study of barium fluorozirconate glasses and related crystals
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Site connectivities in sodium aluminoborate glasses: multinuclear and multiple quantum NMR results
Fulltext Access 13 Pages 2005
Evolution of solid state systems containing mutually coupled dipolar and quadrupole spins: Perturbation treatment
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Versatility of the dipolar filter selection: From 1H nuclear spin diffusion experiment to the measurement of nuclear Overhauser effect in homopolymer melts
Fulltext Access 13 Pages 2005
From structure to chemical shift and vice-versa
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Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their stochastic forms: a novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds
Fulltext Access 13 Pages 2005
Ab initio studies of the conformations of ethynyl formate, cyano formate and related ethynyl and cyano compounds
Fulltext Access 13 Pages 2005
MO-calculations on the solvation effects on the structure of natural flavonoids in aqueous and acetone phases
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TD-DFT studies on the electronic structure of imidazole bound vanadate in vanadium containing haloperoxidases (VHPO)
Fulltext Access 13 Pages 2005
Identification of intermediate linear structure formed during Bi/Si(0 0 1) surface anneal
Fulltext Access 13 Pages 2005
First-principles calculations on the surface electronic and reactive properties of M/SnO2 (M=Ge, Mn) (110)
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The interaction of fluoramines, fluorophosphines and fluoroarsines with hydrogen fluoride clusters (HF)n: Model studies on blue-shifted hydrogen bonds
Fulltext Access 13 Pages 2005
Use of symmetry plane and subsequent subtraction for obtaining eigenspectra of some complicated graphs in analytical forms
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The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm−1
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High-resolution FTIR measurement of the 2ν8 band of methylene fluoride (CH2F2)
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Time-resolved Fourier transform infrared spectroscopy: Application to pulsed discharges
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The 5νNH and 5νND vibrational bands of partially deuterated ammonia species
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A high-resolution infrared study of five bands of 1,2,5-thiadiazole in the range 750-1250 cm−1, together with ab initio and DFT studies
Fulltext Access 13 Pages 2005
Rotational spectrum of trans-trans diethyl ether in the ground and three excited vibrational states
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Dynamic of solitary water in hydrophobic solvents
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The decomposition and formation of the platinum-thallium bond in the [(CN)5Pt-Tl(edta)]4− complex: kinetics and mechanism
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Direct investigation of the electrochemical double layer using the STM
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Electrocatalytic oxidation of CO on Pt-modified Ru(0 0 0 1) electrodes
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Cobalt concentration effect in Pt1−xCox on the reversible potential for forming OHads from H2Oads in acid solution
Fulltext Access 13 Pages 2005
XPS and ab initio study of the interaction of PbTe with molecular oxygen
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Adsorption of atomic oxygen on the Cu(1 0 0) surface
Fulltext Access 13 Pages 2005
Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(1 1 1) surface
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Preparation and characterization of well-ordered, thin niobia films on a metal substrate
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Growth and thermal behaviour of NiO nanolayers on Pd(1 0 0)
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Long-range disorder effects on the GaAs(0 0 1) β2(2 × 4) surface
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N-induced pseudo-(1 0 0) reconstruction of Cu(1 1 1): One layer or more?
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Considerations of optical anisotropy in the simulation of reflection absorption infrared spectra
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Surface chemistry of fluoroethanols
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Electrical resistance across a step of the Si(1 1 1)3×3-Ag surface
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Crystal structure, differential scanning calorimetry and vibrational low temperature investigation of C(NH2)3·HSeO4
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Scanning tunneling microscopy of single dye molecules on GaAs(1 1 0) surfaces
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Nano-scale equilibrium crystal shapes
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Structural properties of tetracene films on Ag(1 1 1) investigated by SPA-LEED and TPD
Fulltext Access 13 Pages 2005
Ultrathin polytyramine films by electropolymerisation on highly doped p-type silicon electrodes
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Polarized X-ray absorption spectroscopy and XPS of TiS3: S K- and Ti L-edge XANES and S and Ti 2p XPS
Fulltext Access 13 Pages 2005
Theoretical study of oxygen adsorption at the Fe(1 1 0) and (1 0 0) surfaces
Fulltext Access 13 Pages 2005
Effect of S contamination on properties of Fe(1 0 0) surfaces
Fulltext Access 13 Pages 2005
Ag nanoparticles on highly ordered pyrolytic graphite (HOPG) surfaces studied using STM and XPS
Fulltext Access 13 Pages 2005
Pd-Au single-crystal surfaces: Segregation properties and catalytic activity in the selective hydrogenation of 1,3-butadiene
Fulltext Access 13 Pages 2005
Electronic properties of Sn/Pd intermetallic compounds on Pd(1 1 0)
Fulltext Access 13 Pages 2005
First-principles study of sulfur overlayers on Pd(1 1 1) surface
Fulltext Access 13 Pages 2005
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