Electron Charge Density in Organic Coumpounds
Non Linear Opttical Properties
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In this work we present a summary of our obtained results in this last decades concerning analysis of the charge density distribution in a variety of organic industrial compounds used in different areas such as telecommunications, solar energy or biology. It is known that some physical properties such us the non-linear optical response and the biological activity of the studied compounds are directly linked to their electronic molecular structure. The knowledge of the electron density function derived from x-ray high diffraction studies combined to theoretical ab-initio calculation can lead to...
In this work we present a summary of our obtained results in this last decades concerning analysis of the charge density distribution in a variety of organic industrial compounds used in different areas such as telecommunications, solar energy or biology. It is known that some physical properties such us the non-linear optical response and the biological activity of the studied compounds are directly linked to their electronic molecular structure. The knowledge of the electron density function derived from x-ray high diffraction studies combined to theoretical ab-initio calculation can lead to the rightful description of the molecular electrostatic properties such the dipole moment and the electrostatic potential around the molecules. In this book are presented in details the crystallographic investigation and the results are discussed systematically.
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