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 / G. Saleh ; tutor: L.Lo Presti ; co-tutor: C.Gatti. DIPARTIMENTO DI CHIMICA, 2014 Jan 15. 26. ciclo, Anno Accademico 2013. [10.13130/saleh-gabriele_phd2014-01-15].
CHEMICAL PARADIGMS SEEN THROUGH CHARGE DENSITY DESCRIPTOR LENSES
G. Saleh
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.
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