Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 3 of 3 for “"multipole model"”.
-
Accurate charge densities of amino acids and peptides by the Maximum Entropy Method
… Method (MEM) to study chemical bonds. The MEM model-independently determines the most probable electron density, which simultaneously maximizes the information entropy and fits the X-ray diffraction data. The quality of the MEM densities is enhanced by several extensions to the MEM such as the …
-
The electron density : a bridge between exact quantum mechanics and fuzzy chemical concepts
… X-ray di®raction experiments was given and the multipole formalism was introduced. The procedure of density refinement was briefly discussed. Various suggestions for improvements were developed: One strategy would be the employment of model parameters, which are to a maximum degree mutually …