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机译:Electronic Structure and Spectroscopy of Ru(tpy)(2)(2+), Ru(tpy)(bpy)(H2O)(2+), and Ru(tpy)(bpy)(Cl)(+)
Los Alamos Natl Lab, Los Alamos, NM 87545 USA.;
DENSITY-FUNCTIONAL THEORY; POLYPYRIDYL COMPLEXES; EXCITATION-ENERGIES; ABSORPTION-SPECTRA; TIO2 FILMS; RUTHENIUM; OXIDATION; MOLECULES; FORCE; NANOCRYSTALLINE;