검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
Shrinking Self-Interaction Errors with the Fermi-Lowdin Orbital Self-Interaction-Corrected Density Functional Approximation Sharkas K, Li L, Trepte K, Withanage KPK, Joshi RP, Zope RR, Baruah T, Johnson JK, Jackson KA, Peralta JE Journal of Physical Chemistry A, 122(48), 9307, 2018 |
| 2 |
Diels-Alder addition to H2O@C-60 an electronic and structural study Reveles JU, Govinda KC, Baruah T, Zope RR Chemical Physics Letters, 685, 198, 2017 |
| 3 |
Electronic and Structural Study of ZnxSx [x=12, 16, 24, 28, 36, 48, 96, and 108] Cage Structures Bhusal S, Lopez JAR, Reveles JU, Baruah T, Zope RR Journal of Physical Chemistry A, 121(18), 3486, 2017 |
| 4 |
FeO2/MgO(100) supported cluster: Computational pursual for a low-cost and low-temperature CO nanocatalyst Zamora AY, Reveles JU, Mejia-Olvera R, Baruah T, Zope RR Chemical Physics Letters, 612, 117, 2014 |
| 5 |
Geometry and electronic structure of neutral and charged B-21 clusters Casillas R, Baruah T, Zope RR Chemical Physics Letters, 557, 15, 2013 |
| 6 |
Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet Zope RR, Baruah T Chemical Physics Letters, 501(4-6), 193, 2011 |
| 7 |
Calcium coated B-80 fullerene: A study on various coating configurations of B-80 Olguin M, Baruah T, Zope RR Chemical Physics Letters, 514(1-3), 66, 2011 |
| 8 |
Photoexcitation of a Light-Harvesting Supramolecular Triad: A Time-Dependent DFT Study Spallanzani N, Rozzi CA, Varsano D, Baruah T, Pederson MR, Manghi F, Rubio A Journal of Physical Chemistry B, 113(16), 5345, 2009 |
| 9 |
Toward the control of the magnetic anisotropy of Fe-II cubes: A DFT study Ribas-Arino J, Baruah T, Pederson MR Journal of the American Chemical Society, 128(29), 9497, 2006 |
| 10 |
Theoretical confirmation of the experimental Raman spectra of the lower-order diamondoid molecule: cyclohexamantane (C26H30) Richardson SL, Baruah T, Mehl MJ, Pederson MR Chemical Physics Letters, 403(1-3), 83, 2005 |