โ Scribed by Oberhammer, Heinz
No coin nor oath required. For personal study only.
Theoretical calculations in combination with experimental gas phase structure research can be performed in two ways. The first is to support and improve experimental analyses by including additional data from theoretical calculations. This is to the advantage of the experiment. The second way is a comparison of geometric structures and conformational properties obtained with different theoretical methods with the experimental result. This comparison indicates which theoretical method or methods are suitable for a specific compound. This approach is to the advantage of the theory.
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We present new approaches to the (C 2 ) chiral and meso 1,4-structural, conformational, and stereoelectronic aspects of these systems were probed experimentally and diamino-2,3-butanediol (1) and 2,3-diamino-1,4-butanediol (2) and derivatives. Reactions of these compounds with computationally and pr