Development of new tools for local electron distribution analysis
This thesis focuses in the development and application of new tools for the analysis of the electron distribution in molecules, focusing on the concepts of local spins, and oxidation state. The thesis can be divided into three parts. The first one deals with the formulation of a new atom in molec...
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| Format: | Doctoral Thesis |
| Language: | English |
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Universitat de Girona
2014
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| Online Access: | http://hdl.handle.net/10803/133376 |