Orbital contributions to magnetically induced current densities using gauge-including atomic orbitals
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DOI: 10.1039/d5sc00627a
Abstract: We have developed a method to calculate orbital contributions to magnetically induced current density (MICD) susceptibilities in molecules using gauge-including atomic orbitals (GIAO). The methods implemented in the GIMIC program have been used for analyzing… read more here.
Keywords: orbital contributions; using gauge; contributions magnetically; magnetically induced ... See more keywords