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53249132532
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Program: Gaussian 03, Revision C.02. Method:B3PW91. Basis sets: 6-31 + G(d,p). Solvation: PCM with ua0 radii (see the Supporting Information).
-
Program: Gaussian 03, Revision C.02. Method:B3PW91. Basis sets: 6-31 + G(d,p). Solvation: PCM with ua0 radii (see the Supporting Information).
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We believe trihalogenated germanium enolates generated from bromoketones and GeCl2/dioxane are the reactive species, and employed 2c as a chemical model for the enolate, see reference [11c
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2/dioxane are the reactive species, and employed 2c as a chemical model for the enolate, see reference [11c].
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68
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53249089988
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When we optimized the adduct 3 f by placing a nitrogen atom in an axial position and an oxygen atom in an equatorial position, the nitrogen center spontaneously returned to an equatorial position during optimization.
-
When we optimized the adduct 3 f by placing a nitrogen atom in an axial position and an oxygen atom in an equatorial position, the nitrogen center spontaneously returned to an equatorial position during optimization.
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