Benchmark, test and model systems

The geometrical structure of ethylene used by Hegstrom, Rein and San- 

The first calculations on parity violating potentials in hydrogen peroxide at various dihedral angles were published by Mason and Tranter [109, 111], who reported results within their UCHF scheme that were on the order of lO jFji (see table 3 for results obtained at a dihedral angle of 30°). The data obtained by Wiesenfeld [150] within the relativistically parameterised 

Parity violating potentials at various levels of theory computed for a twisted P-conformation of ethylene. All values have been obtained for sin Oy, = 0.2319 and Gp = 2.22214 x 10 ° E al or, if necessary, scaled to these values, although this is not exact for sin - Geometrical data of the D2 symmetric structure are C-C and C-H bond lengths of 132 pm and 107 pm, respectively and an H-C-C angle of 121.9°. The twist angle is 10°. 

Recently, hydrogen peroxide also served as a test system for ab initio calculations of parity violating chemical shift in chiral molecules [56]. 

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We leave now the benchmark, test and model systems and come to those compounds, that have either already been studied experimentally to determine molecular parity violating effects or which have been proposed as potential candidates for such measurements. 

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