Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"



The xyz files were used for the ECD calculation in the paper : ground-state calculation time -propagation for ECD get rotatory strength for plotting
Koska saatavilla1 jouluk. 2020

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  • CC-BY-4.0

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