Ligand close packing and the geometries of A(XY)4 and some related molecules
β Scribed by George L Heard; Ronald J Gillespie; David W.H Rankin
- Book ID
- 118532266
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 337 KB
- Volume
- 520
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
Modelling studies have been carried out on the cellulose-based chiral stationary phase used to separate the enantiomers of three simple lactams. These studies have helped in understanding differences in the chromatographic behaviour of these molecules.
Using a large basis set of 220 contracted Gaussian-type orbitals and the coupled cluster single-, double-, and perturbative triple-excitation ( \(\operatorname{CSD}(\mathrm{T})\) ) method, the equilibrium geometry of the astrochemically important molecule \(\mathrm{H}_{2} \mathrm{C}_{4}\) is determi