Index Catalog // Research Data

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Data from: Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening

Data Citation:

Williams, J. Z., & Yang, W. (2025). Data and scripts from: Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening. Duke Research Data Repository. https://doi.org/10.7924/r4vq36h9r
Data from: Computed isotope shifts of high-frequency vibrational modes exceed thermal noise in propionate bound to a human olfactory receptor

Data Citation:

Williams J., Marszalek P., & Yang W. (2024). Data from: Computed isotope shifts of high-frequency vibrational modes exceed thermal noise in propionate bound to a human olfactory receptor. Duke Research Data Repository. https://doi.org/10.7924/r4ng4wb8d
sweep_virtual
sweep_gamma
main_data
Data and scripts from: Localized orbital scaling correction for periodic systems

Data Citation:

Mahler, A., Williams, J.Z., Su, N.Q., Yang, W. (2022): Data and scripts from: Localized orbital scaling correction for periodic systems. Duke Research Data Repository. https://doi.org/10.7924/r4s75hv98