鲁效庆-论文著作

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Initial hydrogenations of pyridine on MoP(001): A density functional study. [2012年]
Theoretical analysis of conversion mechanism of acetylene to ethylidyne on Pt(111). [2012年]
Theoretical insight into the desulfurization of thiophene on Pt(110): A density functional investiga... [2012年]
Formaldehyde oxidation on the Pt/TiO2(101) surface: A DFT investigation. [2012年]
Can polypyridyl Cu(I)-based complexes provide promising sensitizers for dye-sensitized solar cells? ... [2011年]
Theoretical characterization of ruthenium complexes containing functionalized bithiophene ligands fo... [2011年]
Theoretical insight into the spectral characteristics of Fe(II)-based complexes for dye-sensitized s... [2011年]
Theoretical investigation of the reaction of Mn+ with ethylene oxide. [2011年]
Methanol dehydrogenation on Rh(1 1 1): a density functional and microkinetic modeling study. [2011年]
Adsorption and desulfurization of thiophene and its hydrogenated derivatives on Pt(111): implication... [2011年]
Theoretical study of the gas-phase Fe+-mediated oxidation of ethane by N2O. [2011年]
Dehydrogenation of methanol on Pd(100): comparison with the results of Pd(111). [2010年]
Mechanism of the ethylene conversion to ethylidyne on Rh(111): a density functional investigation. [2010年]
Density functional study of ethanol decomposition on Rh(111) [2010年]
Decomposition of methanthiol on Pt(111): a density functional investigation. [2010年]
Mechanistic insight into the gas-phase reactions of methylamine with ground state Co+(3F) and Ni+(2D... [2010年]
DFT/TD-DFT investigation of electronic structures and spectra properties of Cu-based dye sensitizers... [2010年]
Gas-phase reactions of Co+ with ethylamine: A theoretical approach to the reaction mechanisms of tra... [2008年]
Hydride abstraction of methylamine with Cu+(1S) in the gas phase: A density functional theory study. [2007年]

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