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Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
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Klene, M.31
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Adamo, C.37
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more..
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Our calculations indicate, as shown in transition states 31 and 33, that there is a significant change in the coordinating geometry of two alkynes relative to 29, which resemble Cu-acetylides, rather than the initially formulated π-complexes
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H. L. Hermann G. Boche P. Schwerdtfeger Chem.-Eur. J. 2001 7 5333
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Hermann, H.L.1
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Schwerdtfeger, P.3
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