Browsing Research Articles (Chemistry) by Author "Schutte, C.J.H. (Casper Jan Hendrik), 1934-2013"

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A computational study of the molecular and crystal structure and selected physical properties of octahydridosilasequioxane, (Si2O3H2)4. II. Vibrational analysis

Schutte, C.J.H. (Casper Jan Hendrik), 1934-2013; Pretorius, J.A. (The Royal Society, 2012)

A computational study of octahydridosilasequioxane, Si8O12H8, as a free molecule and when embedded in the unit cell R-3, Z =3, showed that the point group of the free molecule is indeed Oh, but that its crystal symmetry ...
Computational study of the molecular and crystal structure and selected physical properties of octahydridosilasequioxane–(Si2O3H2)4. I. Electronic and structural aspects

Schutte, C.J.H. (Casper Jan Hendrik), 1934-2013; Pretorius, J.A. (The Royal Society, 2011-04)

The free molecule octahydridosilasequioxane, Si8O12H8, was computationally studied, as well as embedded in the unit cell. The point group of the free molecule is indeed Oh, and its crystal symmetry is reduced to C3i, ...

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