Year |
Citation |
Score |
2021 |
Diaz CM, Basurto L, Adhikari S, Yamamoto Y, Ruzsinszky A, Baruah T, Zope RR. Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method. The Journal of Chemical Physics. 155: 064109. PMID 34391355 DOI: 10.1063/5.0056561 |
0.624 |
|
2019 |
Yamamoto Y, Diaz CM, Basurto L, Jackson KA, Baruah T, Zope RR. Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional. The Journal of Chemical Physics. 151: 154105. PMID 31640373 DOI: 10.1063/1.5120532 |
0.625 |
|
2018 |
Joshi RP, Trepte K, Withanage KPK, Sharkas K, Yamamoto Y, Basurto L, Zope RR, Baruah T, Jackson KA, Peralta JE. Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings. The Journal of Chemical Physics. 149: 164101. PMID 30384709 DOI: 10.1063/1.5050809 |
0.583 |
|
2016 |
Pederson MR, Baruah T, Kao DY, Basurto L. Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules. The Journal of Chemical Physics. 144: 164117. PMID 27131541 DOI: 10.1063/1.4947042 |
0.655 |
|
2016 |
Baruah T, Garnica A, Paggen M, Basurto L, Zope RR. Density functional study of the electronic structure of dye-functionalized fullerenes and their model donor-acceptor complexes containing P3HT. The Journal of Chemical Physics. 144: 144304. PMID 27083718 DOI: 10.1063/1.4944469 |
0.665 |
|
2016 |
Basurto L, Zope RR, Baruah T. Density functional investigation of the electronic structure and charge transfer excited states of a multichromophoric antenna Chemical Physics. 469: 1-8. DOI: 10.1016/J.Chemphys.2016.02.001 |
0.665 |
|
2015 |
Zope RR, Bhusal S, Basurto L, Baruah T, Jackson K. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions. The Journal of Chemical Physics. 143: 084306. PMID 26328842 DOI: 10.1063/1.4928079 |
0.592 |
|
2015 |
Basurto L, Amerikheirabadi F, Zope R, Baruah T. The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C80 (I(h)) fullerenes-Zn-tetraphenyl porphyrin dyads. Physical Chemistry Chemical Physics : Pccp. 17: 5832-9. PMID 25631359 DOI: 10.1039/C4Cp04583A |
0.687 |
|
2014 |
Olguin M, Basurto L, Zope RR, Baruah T. The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad. The Journal of Chemical Physics. 140: 204309. PMID 24880282 DOI: 10.1063/1.4876075 |
0.61 |
|
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