Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations.
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Towards rational catalyst design: a general optimization framework.Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account.A rational catalyst design of CO oxidation using the bonding contribution equation.Formulating the bonding contribution equation in heterogeneous catalysis: a quantitative description between the surface structure and adsorption energy.Structure and catalytic activities of ferrous centers confined on the interface between carbon nanotubes and humic acid.
P2860
Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations.
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Identifying the trend of react ...... first principles calculations.
@en
Identifying the trend of react ...... first principles calculations.
@nl
type
label
Identifying the trend of react ...... first principles calculations.
@en
Identifying the trend of react ...... first principles calculations.
@nl
prefLabel
Identifying the trend of react ...... first principles calculations.
@en
Identifying the trend of react ...... first principles calculations.
@nl
P2093
P2860
P356
P1476
Identifying the trend of react ...... first principles calculations
@en
P2093
P2860
P304
P356
10.1039/C3CP51375K
P407
P577
2013-05-20T00:00:00Z