1. Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron(III) complexes. (15th January 2020) Authors: Joshi, Rajendra P.; Phillips, Jordan J.; Mitchell, Kylie J.; Christou, George; Jackson, Koblar A.; Peralta, Juan E. Journal: Polyhedron Issue: Volume 176(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction. Issue 6 (27th December 2018) Authors: Trepte, Kai; Schwalbe, Sebastian; Hahn, Torsten; Kortus, Jens; Kao, Der‐You; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R.; Withanage, Kushantha P. K.; Peralta, Juan E.; Jackson, Koblar A. Journal: Journal of computational chemistry Issue: Volume 40:Issue 6(2019) Page Start: 820 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations?. Issue 34 (18th August 2021) Authors: Akter, Sharmin; Vargas, Jorge A.; Sharkas, Kamal; Peralta, Juan E.; Jackson, Koblar A.; Baruah, Tunna; Zope, Rajendra R. Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 34(2021) Page Start: 18678 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Importance of self-interaction-error removal in density functional calculations on water cluster anions. Issue 7 (3rd January 2020) Authors: Vargas, Jorge; Ufondu, Peter; Baruah, Tunna; Yamamoto, Yoh; Jackson, Koblar A.; Zope, Rajendra R. Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 7(2020) Page Start: 3789 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Interpretation and Automatic Generation of Fermi‐Orbital Descriptors. Issue 32 (10th September 2019) Authors: Schwalbe, Sebastian; Trepte, Kai; Fiedler, Lenz; Johnson, Alex I.; Kraus, Jakob; Hahn, Torsten; Peralta, Juan E.; Jackson, Koblar A.; Kortus, Jens Journal: Journal of computational chemistry Issue: Volume 40:Issue 32(2019) Page Start: 2843 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Universality in size-driven evolution towards bulk polarizability of metals. Issue 37 (18th September 2018) Authors: Jellinek, Julius; Jackson, Koblar A. Journal: Nanoscale Issue: Volume 10:Issue 37(2018) Page Start: 17534 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗