vozny's tags

001 100 110 ab abinitio ab-initio accurate acids adatom adduct adsorbed adsorption ag algorithm alkanethiol alkanethiolate alkanethiols alkyl aluminum ammonium and approximation aqueous arrays arsenide as-rich assemblies atomic atomic-force atoms au au111 auger band-bending bases basis basis-sets benzene benzenethiol benzoic-acid berry-phase bilayers biomolecules bipolar-transistors brillouin-zone bronze bsse c4x2 c4x4 cadmium calculations carbon chain-length characteristics characterization charge-transfer chemical chemically chemisorption cluster clusters co complexes compounds conductance constituent copper correlation-energy crystal cu current-voltage cysteine density density-functional density-functional-theory dependence dependent deposition depth derivatives desorption device devices dft dialkyl diamond differential dimer dimethyl diodes dipole dissociative disulfide disulfides dna dynamics electrical-properties electrochemical electrodes electron electron-attachment electron-counting electron-diffraction electron-gas electronic-structure electron-transfer electrostatic endnote-import energetics energy enhanced error exchange exchange-correlation excitation-energies excited-states expt fast fe fe100 fermi-surface ferroelectrics films first-principles fock force formation free fullerenes functional functional-groups functionals gaas gaas001 gaas001-2x6 gaas100 gaas100-2x4 gaas110 gaas-surfaces gallium gallium-arsenide gan gas gaussian gaussian-1 gaussian-basis generalized geometry gold gradient ground-state growth h h2 h2s halides hankel he-dimer heterogeneous high-pressure hybridization hydrogen hydrogen-bonded hydrogen-sulfide hydrogen-terminated hydroxide identifying iii-v images immobilization impedance in053ga047as inas index infrared-spectroscopy initio inn interaction interfaces intermolecular iodides ion junction kinetics langmuir-blodgett large laser-diodes length light-emitting linear lipid lithography local-density localized long-chain low magnetic magnetic-properties mass-spectrometry materials mercaptan metal metals metal-surfaces methanethiol method methods methyl methylselenol methylthiolate micellar-solutions microscopy minerals mo110 model modification molecular molecular-beam molecular-dynamics molecular-energies molecular-orbitals molecular-orientation molecules moller-plesset molybdenum monolayer monolayers movpe multipole n-alkanethiol nanocrystal nanomaterials nano-scale nanotubes negative n-gaas ni111 nitride noble-metal nonlocal normal-alkanoic norm-conserving octadecylthiol omvpe orbitals organic organics organic-surfaces organized organosulfur oxidation oxidized passivated passivation penetration-controlled permanganate perturbative pes phase phase-behavior phases phenyl photoelectron-spectroscopy photoluminescence photoluminescent physisorption plane-wave plane-waves points polarizability polyimide potential potentials probe processes properties protected pseudopotential pseudopotentials qd quantum raman-scattering raman-spectroscopy ray reaction reactions reactivity recombination reconstruction reflection relaxation resistance resists resonance sam scaling scanning scanning-tunneling-microscopy scf schottky schottky-barrier selective-area selenide self-assembled semiconductor semiconductors set sets si siesta silanes silicon silver simulations single slater sodium solids special spectra spectroscopy states stm stoichiometry stranded-dna structural structural-properties structure structures sulfide sulfides sulfur sulfur-containing superlattice superposition surface surface-adsorption surface-confined surface-plasmon surfaces surfactants systems system-size temperature terminated theory thermal thermochemistry thiol thiols thiophenol tight-binding time-resolved tin-oxide total-energy transform transition-metals transitions transport tunneling ultrathin unsymmetrical water wave-function wavelength wires wurtzite x-ray x-ray-absorption x-ray-diffraction zeolites

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