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GO TO OPEN ACCESS J. Am. Chem. Soc. 2017, 139 (30), 10302-10311 , DOI: 10.1021/jacs.7b03005.
Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in systems involving dispersion correlations
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C-H bond activation of benzene by unsaturated η2-cyclopropene and η2-benzyne complexes of niobium
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Palladium round trip in the Negishi coupling of trans-[PdMeCl(PMePh2)2] with ZnMeCl: An experimental and DFT study of the transmetalation step
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