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Molecular simulation of hydrogen storage in iro-exchanged Mazzite a... 2012-08-25
A Density Functional Theory Investigation on the Mechanism and Kine... 2012-08-25
A DFT theoretical study of CH4 dissociation on gold-alloyed Ni(111)... 2012-08-25
Density functional theory analysis of carbonyl sulfide hydrolysis: ... 2012-05-31
A theoretical study on the hydrolysis mechanism of carbon disulfide 2011-08-12
氢气在Na-MAZ和Li-MAZ沸石原子簇上的吸附 2011-08-12
A first-principles study of C + O reaction on NiCo(1 1 1) surface 2011-08-12
CH4 dissociation on NiCo (1 1 1) surface: A first-principles study 2011-08-12
A DFT Study on the Formation of CH3O on Cu2O(111) Surface by CH3OH ... 2011-08-12
Adsorption and dissociation of O2 on the Cu2O(1 1 1) surface- Therm... 2011-06-09
量子化学课题组2010年发表期刊论文 2011-06-09
Adsorption of dissociation of H2 on the Cu2O(111) surface: a densit... 2010-10-19
DFT study on the sulfur migration during benzenethiol pyrolysis in ... 2010-10-19
CuCl与SiO2-TiO2载体相互作用的密度泛函理论研究 2010-10-19
CO和CH3O在Cu2O(111)表面吸附特性及共吸附的理论研究 2010-10-19
Solvent effects on adsorption of CO over CuCl(111) surface: A densi... 2010-10-19
Theoretical studies on reaction mechanism of H2 with COS 2010-10-19
量子化学课题组2009年发表期刊论文 2010-10-19
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