Mhatre, C.V., Wardzala, J.J., Shukla, P.B., Agrawal, M., & Johnson, J.K. (2023). Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66. Nanomaterials (Basel), 13(11), 1793.MDPI. doi: 10.3390/nano13111793.
Shukla, P.B., Mishra, P., Baruah, T., Zope, R.R., Jackson, K.A., & Johnson, J.K. (2023). How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?. J Phys Chem A, 127(7), 1750-1759.American Chemical Society (ACS). doi: 10.1021/acs.jpca.2c07894.
An, Y., Kleinhammes, A., Doyle, P., Chen, E.Y., Song, Y., Morris, A.J., Gibbons, B., Cai, M., Johnson, J.K., Shukla, P.B., Vo, M.N., Wei, X., Wilmer, C.E., Ruffley, J.P., Huang, L., Tovar, T.M., Mahle, J.J., Karwacki, C.J., & Wu, Y. (2021). In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66. J Phys Chem Lett, 12(2), 892-899.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.0c03504.
Wardzala, J.J., Ruffley, J.P., Goodenough, I., Schmidt, A.M., Shukla, P.B., Wei, X., Bagusetty, A., De Souza, M., Das, P., Thompson, D.J., Karwacki, C.J., Wilmer, C.E., Borguet, E., Rosi, N.L., & Johnson, J.K. (2020). Modeling of Diffusion of Acetone in UiO-66. JOURNAL OF PHYSICAL CHEMISTRY C, 124(52), 28469-28478.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.0c07040.