1. A DFT analysis of the ground and charge-transfer excited states of Sc3N@Ih–C80 fullerene coupled with metal-free and zinc-phthalocyanine. Issue 40 (5th October 2018) Authors: Amerikheirabadi, Fatemeh; Diaz, Carlos; Mohan, Neetha; Zope, Rajendra R.; Baruah, Tunna Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 40(2018) Page Start: 25841 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. Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA. Issue 32 (6th August 2020) Authors: Yamamoto, Yoh; Salcedo, Alan; Diaz, Carlos M.; Alam, Md Shamsul; Baruah, Tunna; Zope, Rajendra R. Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 32(2020) Page Start: 18060 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Electronic structure calculation of vanadium‐and scandium‐based endohedral fullerenes VSc2N@C2n (2n = 70, 76, 78, 80). Issue 24 (28th September 2018) Authors: Bhusal, Shusil; Baruah, Tunna; Yamamoto, Yoh; Zope, Rajendra R. Journal: International journal of quantum chemistry Issue: Volume 118:Issue 24(2018) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. 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) ↗
6. 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) ↗
7. Local self-interaction correction method with a simple scaling factor. Issue 3 (18th January 2021) Authors: Romero, Selim; Yamamoto, Yoh; Baruah, Tunna; Zope, Rajendra R. Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 3(2020) Page Start: 2406 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (Ih) fullerenes–Zn-tetraphenyl porphyrin dyads1. Issue 8 (28th February 2015) Authors: Basurto, Luis; Amerikheirabadi, Fatemeh; Zope, Rajendra; Baruah, Tunna Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 8(2015) Page Start: 5832 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗