The main focus of this thesis is the exploration of new applications of electron-density-based descriptors for the investigation of several chemical paradigms. The property of electron density of being a measurable quantity will be fully exploited by comparing experimentally and theoretically derived results throughout the thesis. In addition, a chapter is devoted to the application of electron-density-based descriptors to the study of chemical bonding in coordination polymers, therefore demonstrating the impact that this kind of research may have on ‘real-life’ chemistry.

CHEMICAL PARADIGMS SEEN THROUGH CHARGE DENSITY DESCRIPTOR LENSES

SALEH, GABRELE
2014

Abstract

The main focus of this thesis is the exploration of new applications of electron-density-based descriptors for the investigation of several chemical paradigms. The property of electron density of being a measurable quantity will be fully exploited by comparing experimentally and theoretically derived results throughout the thesis. In addition, a chapter is devoted to the application of electron-density-based descriptors to the study of chemical bonding in coordination polymers, therefore demonstrating the impact that this kind of research may have on ‘real-life’ chemistry.
15-gen-2014
Inglese
electron density ; non-covalent interactions ; electron delocalization ; coordination polymers
LO PRESTI, LEONARDO
Università degli Studi di Milano
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14242/76771
Il codice NBN di questa tesi è URN:NBN:IT:UNIMI-76771