DFT calculation files for "Hydrogel elastomer-based conductive nanomembranes for soft bioelectronics"

This dataset contains the Density Functional Theory (DFT) calculation files supporting the findings of our study, "Hydrogel elastomer-based conductive nanomembranes for soft bioelectronics". DFT calculation includes the input (.gjf), output (.log), and checkpoint (.chk) files for the DFT calculations performed to predict and compare the energy levels and backbone planarity of the polymers upon selenium substitution. The data is related to the development of hydrogel elastomer-based conductive nanomembranes for soft bioelectronics.