Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study von Romero, Selim, Baruah, Tunna, Zope, Rajendra R.

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Interatomic potentials for atomistic simulations of the Ti-Al system von Zope, Rajendra R., Mishin, Y.

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Biomaterials for mRNA delivery von Islam, Mohammad Ariful, Reesor, Emma K. G, Xu, Yingjie, Zope, Harshal R, Zetter, Bruce R, Shi, Jinjun

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Ti4- and Ni4‑Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage von Ramos-Castillo, C. M, Reveles, J. U, Cifuentes-Quintal, M. E, Zope, R. R, de Coss, R

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In Vitro and In Vivo Supramolecular Modification of Biomembranes Using a Lipidated Coiled-Coil Motif von Zope, Harshal R., Versluis, Frank, Ordas, Anita, Voskuhl, Jens, Spaink, Herman P., Kros, Alexander

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Electronic and Structural Properties of C60 and Sc3N@C80 Supported on Graphene Nanoflakes von Reveles, J. Ulises, Karle, Nakul N, Baruah, Tunna, Zope, Rajendra R

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Cellular imaging using biocompatible dendrimer-functionalized graphene oxide-based fluorescent probe anchored with magnetic nanoparticles von Wate, Prateek S, Banerjee, Shashwat S, Jalota-Badhwar, Archana, Mascarenhas, Russel R, Zope, Khushbu R, Khandare, Jayant, Misra, R Devesh K

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Controlling the rate of coiled coil driven membrane fusion von Zheng, Tingting, Voskuhl, Jens, Versluis, Frank, Zope, Harshal R, Tomatsu, Itsuro, Marsden, Hana Robson, Kros, Alexander

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Charge transfer excitations in cofacial fullerene-porphyrin complexes von Zope, Rajendra R, Olguin, Marco, Baruah, Tunna

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Hydrogen storage in bimetallic Ti-Al sub-nanoclusters supported on graphene von Ramos-Castillo, C M, Reveles, J U, Cifuentes-Quintal, M E, Zope, R R, de Coss, R

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Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions von Yamamoto, Yoh, Romero, Selim, Baruah, Tunna, Zope, Rajendra R.

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Site specific atomic polarizabilities in endohedral fullerenes and carbon onions von Zope, Rajendra R, Bhusal, Shusil, Basurto, Luis, Baruah, Tunna, Jackson, Koblar

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How well do one-electron self-interaction-correction methods perform for systems with fractional electrons? von Zope, Rajendra R., Yamamoto, Yoh, Baruah, Tunna

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Importance of self-interaction-error removal in density functional calculations on water cluster anions von Vargas, Jorge, Ufondu, Peter, Baruah, Tunna, Yamamoto, Yoh, Jackson, Koblar A, Zope, Rajendra R

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Reactive Silver Oxalate Ink Composition with Enhanced Curing Conditions for Flexible Substrates von Zope, Khushbu R, Cormier, Denis, Williams, Scott A

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Self-interaction error overbinds water clusters but cancels in structural energy differences von Sharkas, Kamal, Wagle, Kamal, Santra, Biswajit, Akter, Sharmin, Zope, Rajendra R., Baruah, Tunna, Jackson, Koblar A., Perdew, John P., Peralta, Juan E.

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Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional von Yamamoto, Yoh, Diaz, Carlos M., Basurto, Luis, Jackson, Koblar A., Baruah, Tunna, Zope, Rajendra R.

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Bioinspired Magnetite Crystallization Directed by Random Copolypeptides von Lenders, Jos J. M., Zope, Harshal R., Yamagishi, Ayana, Bomans, Paul H. H., Arakaki, Atsushi, Kros, Alexander, de With, Gijsbertus, Sommerdijk, Nico A. J. M.

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Local self-interaction correction method with a simple scaling factor von Romero, Selim, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R

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Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-... von Akter, Sharmin, Yamamoto, Yoh, Diaz, Carlos M., Jackson, Koblar A., Zope, Rajendra R., Baruah, Tunna

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