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Unconventional magnetism in bulk and nanostructured semiconductors
The goal of this thesis is to understand the unconventional magnetism (also known as sp/d 0 magnetism) exhibited by certain bulk and nano-structured semiconductors and insulators, that are not intentionally doped with ...
Time dependent density functional theory modeling of chiroptical properties of amino acids in solution
Time Dependent Density Functional Theory (TDDFT) and the COnductor-like Screening MOdel (COSMO) of solvation were used to model the specific rotation and Optical Rotatory Dispersion (ORD) of various amino acids in solution. ...