Search for dissertations about: "rotational barriers"
Found 2 swedish dissertations containing the words rotational barriers.
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1. A study of the stereochemistry and electronic transitions of cyclic and acyclic thioamides by crystallography, spectroscopy and computational methods
Abstract : Analysis of conformations and electron transitions of 3-(alkyl or aralkyl)-5-(methyl or phenyl)rhodanines with analogues and N,N'-bis[(S)-1-phenylethyl]-thiourea have been performed by X-ray crystallography, 1H NMR, molecular mechanics, ultraviolet spectroscopy and for the chiral rhodanines, enantiomer chromatography and circular dichroism spectroscopy. The magnitude of rotational barriers has been determined. READ MORE
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2. Dynamics of Molecular Adsorption on Metal Surfaces
Abstract : In this Thesis different aspects of dissociative chemisorption and of scattering and trapping in a physisorption potential are investigated, mainly by means of classical trajectory calculations. In papers I-III the sticking coefficients of hydrogen on copper and nickel are calculated using a multidimensional effective-medium potential which takes the molecular orientation as well as the surface structure into account. READ MORE