Search for dissertations about: "rotational barriers"

Found 2 swedish dissertations containing the words rotational barriers.

2. 1. A study of the stereochemistry and electronic transitions of cyclic and acyclic thioamides by crystallography, spectroscopy and computational methods

   Author : Knut Rang; Centrum för analys och syntes; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; UV and CD spectroscopy; rotational barriers; DNMR; X-ray; N -bis[ S -1-phenylethyl]-thiourea; N; attractive steric effect; chiral; phenyl or H- rhodanines; 3- alkyl or aralkyl -5- methyl; Conformations; electronic transitions; molecular mechanics; enantiom; Organic chemistry; Organisk kemi;

   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

4. 2. Dynamics of Molecular Adsorption on Metal Surfaces

   Author : Christer Engdahl; Chalmers tekniska högskola; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES;

   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