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Modeling of alkynes: synthesis and theoretical properties
(ABM, ABC, ABPol, 2003)
Density functional theory calculation of electron spectra of formaldehyde
(Elsevier Science BvAmsterdamHolanda, 2006)
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy
(American Institute of Physics, 2013-01)
The electronic structure of Cu2O and CuO thin films grown on Cu(110) was characterized by X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The various oxidation states, Cu0, Cu+, and Cu2+, ...
Theoretical study of the density of shallow-acceptor impurity states in quantum-size GaAs microcrystals
(Iop Publishing LtdBristolInglaterra, 1999)
Experimental and theoretical characterization of Ru(II) complexes with polypyridine and phosphine ligands
(2009)
The synthesis and the experimental and theoretical characterization of ruthenium hydride complexes containing phosphorus and polypyridine ligands [RuH(CO)(N-N)(PPh3)2]+ with N-N = dppz 1, dppz-CH3 2 (2.1 isomer), dppz-Cl ...
Dynamic polarizability, Cauchy moments, and the optical absorption spectrum of liquid water: A sequential molecular dynamics/quantum mechanical approach
(AMER INST PHYSICS, 2009)
The dynamic polarizability and optical absorption spectrum of liquid water in the 6-15 eV energy range are investigated by a sequential molecular dynamics (MD)/quantum mechanical approach. The MD simulations are based on ...