Program Package for the Calculation of Origin-Independent Electron Current Density and Derived Magnetic Properties in Molecular Systems
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DOI: 10.1021/acs.jcim.0c01136
Abstract: We present SYSMOIC, a program package for the calculation of the origin-independent current density induced at first order by an external magnetic field in planar and nonplanar molecular systems. Origin independence is obtained adopting the… read more here.
Keywords: current density; package calculation; program package; density ... See more keywords