| Issue Date | Title | Author(s) |
| 2010 | Comparative study of FeCr2S4and FeSc 2S4: Spinels with orbitally active A site | Sarkar S.; Maitra, Tulika; Valentí R.; Saha-Dasgupta T. |
| 2009 | Effect of external pressure on the Fe magnetic moment in undoped LaFeAsO from density functional theory: Proximity to a magnetic instability | Opahle I.; Kandpal, Hem Chandra; Zhang Y.; Gros C.; Valentí R. |
| 2006 | Effects of Fe substitution on the electronic, transport, and magnetic properties of Zn Ga2 O4: A systematic ab initio study | Pisani L.; Maitra, Tulika; Valentí R. |
| 2005 | Ferromagnetism in the Fe-substituted spinel semiconductor ZnGa 2O4 | Maitra, Tulika; Valentí R. |
| 2010 | First principles determination of the model parameters in κ-(ET) 2Cu2(CN)3 | Jeschke H.O.; Kandpal, Hem Chandra; Opahle I.; Zhang Y.-Z.; Valentí R. |
| 2009 | Microscopic origin of pressure-induced phase transitions in the iron pnictide superconductors A Fe2 As2: An ab initio molecular dynamics study | Zhang Y.-Z.; Kandpal, Hem Chandra; Opahle I.; Jeschke H.O.; Valentí R. |
| 2010 | Modulation of pairing interaction in Bi2Sr2CaCu 2O8+δ by an O dopant: A density functional theory study | Foyevtsova K.; Kandpal, Hem Chandra; Jeschke H.O.; Graser S.; Cheng H.-P.; Valentí R.; Hirschfeld P.J. |
| 2011 | Multistep approach to microscopic models for frustrated quantum magnets: The case of the natural mineral azurite | Jeschke H.; Opahle I.; Kandpal, Hem Chandra; Valentí R.; Das H.; Saha-Dasgupta T.; Janson O.; Rosner H.; Brühl A.; Wolf B.; Lang M.; Richter J.; Hu S.; Wang X.; Peters R.; Pruschke T.; Honecker A. |
| 2007 | Orbital order in ZnV2O4 | Maitra, Tulika; Valentí R. |
| 2009 | Proposed orbital ordering in MnV2O4 from first-principles calculations | Sarkar S.; Maitra, Tulika; Valentí R.; Saha-Dasgupta T. |
| 2009 | Revision of model parameters for κ-type charge transfer salts: An Ab initio study | Kandpal, Hem Chandra; Opahle I.; Zhang Y.-Z.; Jeschke H.O.; Valentí R. |
