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Daneshyari Physical and Theoretical Chemistry Journas Latest Articles

Physical and Theoretical Chemistry Research Articles

Hot band excitation of CO/Ir{1 1 1} studied by broadband sum frequency generation
Fulltext Access 8 Pages 2005
Structure of enantiopure and racemic alanine adlayers on Cu(1 1 0)
Fulltext Access 8 Pages 2005
Effect of adsorbate carbon on spin reorientation transitions in Cu-capped ultrathin Ni films on Cu(0 0 1)
Fulltext Access 8 Pages 2005
Electronic structures of an extra Si atom diffusing in the Si(1 1 1)(7 × 7) surface
Fulltext Access 8 Pages 2005
Formation of oxygen vacancies on the TiO2(1 1 0) surfaces
Fulltext Access 8 Pages 2005
Ion-induced interface layer formation in W/Si and WRe/Si multilayers
Fulltext Access 8 Pages 2005
Self-affine roughness influence on redox reaction charge admittance
Fulltext Access 8 Pages 2005
Heat of adsorption of CO on Pt(1 1 1) obtained by sum frequency generation vibrational spectroscopy-a new technique to measure adsorption isotherms
Fulltext Access 8 Pages 2005
Adsorption and geometry of the chemisorbed benzoate species on Cu(1 1 0)
Fulltext Access 8 Pages 2005
The structure and character of CdSe nanocrystals capped ZnO layer for phase transfer from hexane to ethanol solution
Fulltext Access 8 Pages 2005
Half-sandwich metal atom complexes with benzene: a model for adsorption onto graphite
Fulltext Access 8 Pages 2005
Poly(ethylene terephthalate) surface and alumina/poly(ethylene terephthalate) interface studied using sum-frequency generation spectroscopy
Fulltext Access 8 Pages 2005
Role of electronic band structure and resonances on electron-scattering. The case of the hydrogenated polycrystalline diamond
Fulltext Access 8 Pages 2005
Structure of double row quantum wires in Au/Si(5 5 3)
Fulltext Access 8 Pages 2005
Band bending at the Si(1 0 0)-Si3N4 interface studied by photoreflectance spectroscopy
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Localized electrochemical oxidation of thin Nb Films in microscopic and nanoscopic dimensions
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Electrochemical preparation of silver and gold nanoparticles: Characterization by confocal and surface enhanced Raman microscopy
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Electrochemically deposited silver particles for surface enhanced Raman spectroscopy
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Nitridation of InP(1 0 0) surface studied by synchrotron radiation
Fulltext Access 8 Pages 2005
Absence of oxide formation at the Fe/MgO(0 0 1) interface
Fulltext Access 8 Pages 2005
LCAO study of the Cu(1 1 0)-p(2 × 1)O surface
Fulltext Access 8 Pages 2005
Electronic structure of the Ti suboxide layer formed on a TiC(1 0 0) surface: Angle-resolved photoemission study
Fulltext Access 8 Pages 2005
A fully oxidized V2O5/TiO2(0 0 1)-anatase system studied with in situ synchrotron photoelectron spectroscopy
Fulltext Access 8 Pages 2005
Ab initio surface reaction energetics of H2X (X = O or S) on Si(0 0 1)-(2 × 1)
Fulltext Access 8 Pages 2005
Growth of thin platinum films on Cu(1 0 0): CAICISS, XPS and LEED studies
Fulltext Access 8 Pages 2005
Modified Si(1 0 0)4 × 3-In nanocluster arrays
Fulltext Access 8 Pages 2005
A LEED I-V structural determination of the c(4 × 2) Ni3O4/Pd(1 0 0) monolayer phase: an ordered array of Ni vacancies
Fulltext Access 8 Pages 2005
Mechanism of state-specific enhancement in photon-stimulated desorption as studied using a polarization-dependent technique
Fulltext Access 8 Pages 2005
Ion desorption of surface-oriented methyl-ester compounds using a self-assembled monolayer by core-electron excitations: Polarization-dependence measurements
Fulltext Access 8 Pages 2005
Electronic processes producing O+ ion photodesorption from oxygen adsorbed on Si(1 1 1)7 × 7
Fulltext Access 8 Pages 2005
Wavelength-selective laser desorption of doped ice surfaces
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Temperature-dependent DIET of alkalis from SiO2 films: Comparison with a lunar sample
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Electron-stimulated desorption from alkali halide surfaces: Yield and kinetic-energy distributions of positive alkali ions
Fulltext Access 8 Pages 2005
Atomic force microscopy studies of alkali halide surfaces nanostructured by DIET
Fulltext Access 8 Pages 2005
STM excitation of individual biphenyl molecules on Si(1 0 0) surface: DIET or DIEF?
Fulltext Access 8 Pages 2005
Hydrogen tunneling on a metal surface: A density-functional study of H and D atoms on Cu(0 0 1)
Fulltext Access 8 Pages 2005
Electronic properties of a zinc oxide surface modified by ultra-thin layers of conjugated organic molecules
Fulltext Access 8 Pages 2005
The evolution of benzenethiol self-assembled monolayer on the Cu(1 0 0) surface
Fulltext Access 8 Pages 2005
Defect-induced dimer pinning on the Si(0 0 1) surface
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Methanol on Co(0 0 0 1): XPS, TDS, WF and LEED results
Fulltext Access 8 Pages 2005
A medium-energy ion scattering investigation of the structure and surface vibrations of two-dimensional YSi2 grown on Si(1 1 1)
Fulltext Access 8 Pages 2005
Size selectivity for CO-oxidation of Ag nanoparticles on highly ordered pyrolytic graphite (HOPG)
Fulltext Access 8 Pages 2005
Scanning tunneling microscopy study of the fivefold surface of icosahedral Al-Cu-Ru quasicrystal
Fulltext Access 8 Pages 2005
Site-specific dissociation of N2 on the stepped Ru(1 0 9) surface
Fulltext Access 8 Pages 2005
Initial stages of the epitaxial growth of Pr2O3 on Si(1 1 1) studied by LEED and STM
Fulltext Access 8 Pages 2005
Global structural optimization of Si magic clusters on the Si(1 1 1) 7 × 7 surface
Fulltext Access 8 Pages 2005
Magnetic map and interlayer exchange coupling in Fe/Ni(1 1 0) and Fe/Ni(1 1 1) superlattices
Fulltext Access 8 Pages 2005
Band gap effect on H− ion survival near Cu surfaces
Fulltext Access 8 Pages 2005
Electron-ion/atom coincidence measurements of 3 keV He+ interacting with a SiH(1 0 0)-(2 × 1) surface
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Enhanced surface sensitivity in AES relative to XPS observed in free argon clusters
Fulltext Access 8 Pages 2005
An DFT studies of conformational stability, vibrational frequencies and normal mode analysis of 3-bromo-1-butene
Fulltext Access 8 Pages 2005
Which base triplet stabilizes triple helix? Ab initio SCF and density functional methods of calculations on some base triplets
Fulltext Access 8 Pages 2005
Theoretical and experimental study of the inelastic neutron scattering spectra of β-5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
Fulltext Access 8 Pages 2005
On the stability of methyl cations with aromatic substituents. Theoretical approach
Fulltext Access 8 Pages 2005
Peculiar basis set dependence of the energetics of C2S2H2 isomers. In search of adequate and affordable basis set for routine calculations
Fulltext Access 8 Pages 2005
DFT study on the electron affinities of the chlorinated benzenes
Fulltext Access 8 Pages 2005
A density functional study of phosphorus-doped clusters CnP3+ (n=1-8)
Fulltext Access 8 Pages 2005
Theoretical investigation of excitation states of tetracyanoethylenen−-biphenylene (n=0,1,2) system
Fulltext Access 8 Pages 2005
Configurational and conformational analysis of some fully substituted imidazolidinic compounds: a theoretical study
Fulltext Access 8 Pages 2005
The structure and conformation analysis of N-2-fluorobenzoyl-N′-2-methoxyphenylthiourea
Fulltext Access 8 Pages 2005
Conformational stability and vibrational analyses of vinyl diazene CH2CH-NNH and vinyl imine CH2CH-CHNH
Fulltext Access 8 Pages 2005
Theoretical studies of ground and excited electronic states of OLED material bis(2-methyl-8-quinolinolato)gallium(iii) chlorine
Fulltext Access 8 Pages 2005
Quantum mechanical studies on the potential energy surface of the reactions 3NCN/3CNN+NO, 1NNO+CN and 2N3+CO
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Theoretical investigation on π-dimer formation in oligothiophenes
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QSAR study of inibition by coumarins of IQ induced mutation in S. typhimurium TA98
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Kekulé count in capped armchair nanotubes
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A quantum chemical study on structure of 1,2-Bis(diphenylphosphinoyl)ethane and hydroquinone cocrystal
Fulltext Access 8 Pages 2005
Prediction of gas phase thermodynamic properties of polychlorinated dibenzo-furans by DFT
Fulltext Access 8 Pages 2005
A molecular dynamics simulation study of glutamine-binding protein
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Quantum mechanical analysis of decomposition pathways of chloromethyl hypochlorite
Fulltext Access 8 Pages 2005
Ab initio study ground-state potential energy function of SiCl+
Fulltext Access 8 Pages 2005
Exploration of a general expression to estimate the enthalpies of formation for monosubstituted alkanes RX
Fulltext Access 8 Pages 2005
Semi-empirical AM1 and PM3 calculations of five- and six-coordinate oxo iron (IV) porphyrin complexes
Fulltext Access 8 Pages 2005
Comparative study of novel sulfonylcalix[4]arene derivative compounds
Fulltext Access 8 Pages 2005
Accuracy of the numerical solution of the Poisson-Boltzmann equation
Fulltext Access 8 Pages 2005
Self-assembled monolayer of tin-phthalocyanine on InSb(0 0 1)-(4 × 2)/c(8 × 2)
Fulltext Access 8 Pages 2005
Thermodynamic control of germanium quantum dot growth on silicon
Fulltext Access 8 Pages 2005
Equivalent ordered-mixed-surface-structures of p(4 × 4)-p4gm formed on Cu(0 0 1) by coadsorptions of Bi + Mg and Sb + Mg
Fulltext Access 8 Pages 2005
Dynamical Monte Carlo simulation on response of DAS domain in quenched Si(1 1 1) surface
Fulltext Access 8 Pages 2005
Water nanodroplets confined in molecular nanobeakers
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Surface plasmon polariton scattering by small ellipsoid particles
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Electrochemically driven organic monolayer formation on silicon surfaces using alkylammonium and alkylphosphonium reagents
Fulltext Access 8 Pages 2005
Metal deposition onto thiol-covered gold: Platinum on a 4-mercaptopyridine SAM
Fulltext Access 8 Pages 2005
Effects of strain field in nitrogen-mediated Co film growth on Cu(0 0 1): Segregation and electronic structure change
Fulltext Access 8 Pages 2005
A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys
Fulltext Access 8 Pages 2005
Diffusion-limited submonolayer pentacene thin film growth on hydrogen-passivated Si(1 1 1) substrates
Fulltext Access 8 Pages 2005
Structure of Co deposited 6H-SiC(0 0 0 1)
Fulltext Access 8 Pages 2005
Removal of self-assembled monolayers of alkanethiolates on gold by plasma cleaning
Fulltext Access 8 Pages 2005
Structural and electronic properties of radialenes and related systems
Fulltext Access 8 Pages 2005
STM study of the early stages of the Cr/Si(1 1 1) interface formation
Fulltext Access 8 Pages 2005
Pit formation and segregation effects during Cu thin-film growth on Ag(1 1 1)
Fulltext Access 8 Pages 2005
Growth, stability and morphology evolution of Pb films on Si(1 1 1) prepared at low temperature
Fulltext Access 8 Pages 2005
QSAR studies on the mechanism of radioprotection by Hoechst 33258 analogues
Fulltext Access 8 Pages 2005
Vibrational frequencies and structural determination of methoxygermane
Fulltext Access 8 Pages 2005
Quantum mechanical calculations on phenoxathiin and azaphenoxathiins heterocycles
Fulltext Access 8 Pages 2005
The calculated base pairing energy of 8-oxoguanine in the syn-anti conformation with cytosine, thymine, adenine and guanine
Fulltext Access 8 Pages 2005
Ab initio study of rearrangement of allenic acids
Fulltext Access 8 Pages 2005
Vibrational frequencies and structural determination of trimethylphosphine oxide
Fulltext Access 8 Pages 2005
Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol
Fulltext Access 8 Pages 2005
Vibrational spectra of phthalazine by density functional theory calculations and assignment of its metal complexes
Fulltext Access 8 Pages 2005
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