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by dinpajooh
20 Sep 2015, 23:11
Forum: General discussions
Topic: Details in Dipole Moment Calculations
Replies: 3
Views: 9459

Details in Dipole Moment Calculations

Hi, I am calculating the full dipole moment matrix for a given cytochrome C, whose charge is -2 and I need to know more details about dipole moment calculations in (LS)DALTON: Q1- Are the Cartesian components of the dipole moment shown in the output based on a center of mass, center of charge, or ge...