A systematic study on the effect of co-catalysts composition on the performance of Ziegler-Natta catalyst in ethylene/1-butene co-polymerizations

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Accurate Coulomb-fitting basis sets for H to Rn

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