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Browsing Institut de Química Computacional i Catàlisi (2013- ) by Subject "543"

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    Computational study of nuclear magnetic shielding constants 

    Castro Aguilera, Abril Carolina (Date of defense: 2017-11-17)

    Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable structural tool in the modern analytical arsenal of chemists and structural biologists. The present thesis is a computational study of the NMR shift constants ...