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Umesh V. WaghmareSrikanth SastrySwapan PatiShobhana NarasimhanVidhyadhiraja N. S.
K. B. SinhaKavita JainSubir K. Das


  1. Abhay. K. Tiwari and N. S. Vidhyadhiraja, Transient and steady state lateral charge transport in polymeric semiconductors.  , Optical and Quantum Electronics (Springer) 41, 787 - 793 (2009).

  2. Subir K. Das, Juergen Horbach and Kurt Binder, Kinetics of phase separation in thin films: Lattice versus continuum models for solid binary mixtures  , Physical Review E 79, 021602 (2009).

  3. P. Ghosh, R. Pushpa, S. de Gironcoli and S. Narasimhan, Effective coordination number: a simple indicator of activation energies for NO dissociation on Rh(100) surfaces, Physical Review B 80, 233406 - 233506 (2009).

  4. M. Marathe, M. Imam and S. Narasimhan, Mixing and Magnetic Properties of Surface Alloys: The Role of the Substrate, Applied Surface Science 256, 449 - 454 (2009).

  5. R. Pushpa, P. Ghosh, S. Narasimhan and S. de Gironcoli, Effective Coordination as a Predictor of Adsorption Energies: a Model Study of NO on Rh(100) and Rh/MgO(100) Surfaces, Physical Review B 79, 165406 (2009).

  6. M. Marathe, M. Imam and S. Narasimhan, Elastic and chemical contributions to the stability of magnetic surface alloys on Ru(0001), Physical Review B 79, 085413 (2009).

  7. M. Imam, M. Marathe and S. Narasimhan, Nix Pt1−x /Rh(111): A Stable Surface Alloy with Enhanced Magnetic Moments, Solid State Communications 149, 559 - 563 (2009).

  8. L. S. Panchakarla, K. S. Subrahmanyam, S. K. Saha, Achutharao Govindaraj, H. R. Krishnamurthy, U. V. Waghmare, C. N. R. Rao, Synthesis, Structure, and Properties of Boron- and Nitrogen-Doped Graphene, Advanced Materials 21, 4726 - 4730 (2009).

  9. Asha Gupta, M. S. Hegde, K. R. Priolkar, U. V. Waghmare, P. R. Sarode and S. Emura, Structural Investigation of Activated Lattice Oxygen in Ce1−xSnxO2 and Ce1−x−ySnxPdyO2−δ by EXAFS and DFT calculation, Chemistry of Materials 21, 5836 - 5847 (2009).

  10. Shibu Saw, Niels L Ellegaard, Walter Kob, Srikanth Sastry, Structural relaxation of a Gel Modeled by Three Body Interactions;, Phys. Rev. Lett 103, 248305 - 248308 (2009).

  11. A. K. Cheetham, M. L. Klein and Swapan K. Pati, Editorial: Special Issue, J. Mater. Chem 19, 4294 (2009).

  12. Maji, Tapas; Mohapatra, Sudip; Hembram, K. P., Waghmare Umesh V., Immobilization of Alkali Metal ions in a 3D Lanthanide-Organic Framework: Selective Sorption and H2 Storage  , Chemistry of Materials 21, 5406 - 5412 (2009).

  13. Asha Gupta, Anil Kumar, Umesh V. Waghmare and M. S. Hegde, Origin of activation of Lattice Oxygen and Synergistic Interaction in Bimetal-Ionic Ce0.89Fe0.1Pd0.01O2−δ Catalyst, Chemistry of Materials 21, 4880 - 4891 (2009).

  14. Ricardo Grau-crespo, K Smith, T S Fisher, N de Leew, Umesh V Waghmare, Thermodynamics of hydrogen vacancies in MgH 2 from first-principles calculations and grand-canonical statistical mechanics  , Phys Rev B (2009). In Press.

  15. D. Gupta, N. S. Vidhyadhiraja and K. S. Narayan, Transport of Photogenerated Charge Carriers in Polymer Semiconductors, Proceedings of the IEEE 97, 1558 - 1569 (2009).

  16. N. S. Vidhyadhiraja, A. Macridin, C. Sen, M. Jarrell and Michael Ma, Quantum Critical Point at Finite Doping in the 2D Hubbard Model: A Dynamical Cluster Quantum Monte Carlo Study, Physical Review Letters 102, 206407 (2009).

  17. Debabrata Parihari, N S Vidhyadhiraja, Magnetoresistance in paramagnetic heavy fermion metals, Journal of Physics: Condensed Matter 21, 405602 (2009).

  18. Smarajit Karmakar, Chandan Dasgupta, Srikanth Sastry, Growing length and time scales in glass forming liquids, Proc. Natl. Acad. Sci.(US) 106, 3675 - 3679 (2009).

  19. Sankaranarayana Pillai Sarish, Sharanappa Nembenna, Herbert W. Roesky, Holger Ott, Aritra Pal, Dietmar Stalke, Sudipta Dutta and Swapan K. Pati, Soluble Molecular Dimers of CaO and SrO Stabilized by a Lewis Acid, Angew. Chem. Int. Ed. 48, 8740 (2009).

  20. S K Saha, C Reddy, H R Krishnamurthy, U V Waghmare, Mechanisms of Molecular Doping of Graphene, Phys. Rev. B. (2009). In Press.

  21. N. Jakse, A. Pasturel, S. Sastry, C. A. Angell, Response to "Comment on 'Dynamic aspects of the liquid-liquid phase transformation in silicon'" [ J.Chem.Phys. 130, 247102 (2009)], J. Chem. Phys. 130, 247103 - 247104 (2009).

  22. Tarun K Mandal, Swapan K Pati and Ayan Datta, Degenerate Intermolecular and Intramolecular Proton-Transfer Reactions: Electronic Structure of the Transition States, J. Phys. Chem. A (Letters) 113, 8147 (2009).

  23. Jithesh K, Govind, U V Waghmare and S M Shivaprasad, In monolayer on Si (111) surface, Appl. Surf. Sci. (2009). In Press.

  24. Hena Das, Umesh V. Waghmare, T. Saha-Dasgupta, and D. D. Sarma, , Phys. Rev. B. (2009). In Press.

  25. Paul Jaita, Nishimatsu Takeshi, Kawazoe Yoshiyuki, U V Waghmare, Polarization rotation, switching, and electric-field--temperature phase diagrams of ferroelectric BaTiO3: A molecular dynamics study, Phys. Rev. B (2009). In Press.

  26. Jun Hee Lee, Jaejun Yu, and U. V. Waghmare, Origin of reduced polarizations in short-period BaTiO3 /SrTiO3 ferroelectric superlattices, J. of Appl. Phys. 105, 016104 - 016109 (2009).

  27. Umesh V. Waghmare, Theoretical and Computational Studies of Nano-structures and Nanomaterials, The IISc Journal (invited article) 88, 1 - 19 (2009).

  28. Sudipta Dutta, Tarun K. Mandal, Ayan Datta and Swapan K. Pati, Understanding Peierls distortion in one-dimensional infinite V Chain and V-Bz multi-decker complex  , Chem. Phys. Lett. 479, 133 (2009).

  29. K. L. Gurunatha, Sudipta Dutta, Golam Mostafa, Swapan K Pati, Tapas Kumar Maji, A 3D Chiral Supramolecular Framework of Cu(II): Synthesis, Structure and Magneto-Structural Correlations, Inorganica Chimica Acta 362, 3745 (2009).

  30. Prakash Kanoo, C. Madhu, Golam Mostafa, Tapas Kumar Maji, A. Sundaresan, Swapan K. Pati and C. N. R. Rao, A planar Cu2+ (S = ½) kagomé network pillared by 1,2-bis(4-pyridyl) ethane with interesting magnetic properties, Dalton Transaction 26, 5062 (2009).

  31. Tarun K. Mondal, Sudipta Dutta and Swapan K. Pati, Electronic Absorption Spectra and Nonlinear Optical Properties of CO2 molecular aggregates: A Quantum Chemical Study, J. Chem. Sci. 121, 873 (2009).

  32. Anukul Jana, Sakya S. Sen, Herbert W. Roesky, Carola Schulzke, Sudipta Dutta, and Swapan K. Pati, Unprecedented End-On Nitrogen Insertion of a Diazo Compound into a Germanium(II) Hydrogen Bond and Comparable Reactions with Azide and Diethyl Azodicarboxylate, Angew. Chem. Int. Ed. 48, 4246 (2009).

  33. Sasmita Mohakud and Swapan K Pati, Large Carrier Mobility in Octathio-Circulene Crystals: A Theoretical Study, J. Mater. Chem. 19, 4356 (2009). In Press.

  34. Sairam S. Mallajosyula and Swapan K Pati, Conformational Tuning of Magnetic Interactions in Metal-DNA, Angew. Chem. Int. Ed. 48, 4977 (2009).

  35. Kurt Binder, Subir K. Das and Juergen Horbach, Surface-directed spinodal decomposition: Lattice model versus Ginzburg-Landau theory, Modern Physics Letters B 23, 549 (2009).

  36. A. Nagar and K. Jain, Exact phase diagram of quasispecies model with mutation rate modifier  , Physical Review Letters 102, 038101 (2009).

  37. Arun K. Manna and Swapan K. Pati, Tuning the electronic structure of graphene by molecular charge transfer: A theoretical study, Chem. Asian J. 4, 855 (2009).

  38. Sudipta Dutta, Arun K. Manna and Swapan K. Pati, Intrinsic Half-Metallicity in modified Graphene Nanoribbons, Phys. Rev. Lett. 102, 096601 (2009).

  39. Prakash Parida, Anasuya Kundu and Swapan K. Pati, The Electronic and Magnetic Properties of a Few Transition-Metal Clusters, J. Cluster. Sci. 20, 355 (2009).

  40. Anasuya Kundu and Swapan K. Pati, Quantum Phase Transitions in a Dimerized Bose-Hubbard Model: A DMRG Study, Euro. Phys. Letts. 85, 43001 (2009).

  41. Reji Thomas, Sairam S. Mallajyosula, S. Lakshmi, Swapan K. Pati and G.U. Kulkarni, Conjugation in 1,4-diphenylbutadiyne and 1,2-diphenylacetylene: A Combined Experimental and Theoretical study, J. Mol. Struct. : THEOCHEM. (2009). In Press.

  42. Sairam S. Mallajosyula, Ashutosh Gupta and Swapan K. Pati, Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA, J. Phys. Chem. A (Letters) 113, 3955 (2009).

  43. Rakesh Voggu, Swapan K. Pati and C. N. R. Rao, Effect of Electronic Coupling Between CdSe Nanocrystals on the Photoluminescence Spectra, J. Nanosci. Nanotech. 9, 5646 (2009). In Press.

  44. Sairam S. Mallajosyula, Prakash Parida and Swapan K. Pati, Organometallic Vanadium-Borazine Systems: Efficient One-Dimensional Half-Metallic Spin Filters, J. Mater. Chem. 19, 1761 (2009).

  45. Prakash Parida, S. Lakshmi and Swapan K Pati, Negative differential resistance in nanoscale transport in the Coulomb block ade regime, J. Phys.: Cond. Matt 21, 095301 (2009).

  46. Sudipta Dutta and Swapan K. Pati, Electrical Rectification: A Tale of Two Isomers, Resonance 14, 80 (2009).

  47. R. V. K. Mangalam, Nirat Ray, Umesh V Waghmare, A. Sundaresan and C. N. R. Rao, Multiferroic Properties of Nanocrystalline BaTiO3, Sol. State. Comm. 149, 1 - 5 (2009).

  48. Tinku Baidya, Gargi Dutta, M. S. Hegde and Umesh V. Waghmare, Noble metal ionic catalysts: correlation of increase in CO oxidation activity with increasing effective charge on Pd ion in Pd ion substituted Ce1-xMxO2-d (M = Ti, Zr and Hf), Dalton Trans. 455 - 464 (2009).

  49. Aditi Datta, U. V. Waghmare and U. Ramamurty, First-principles Study of Stacking Faults and Twinning in Nano-Ni, Scripta Materialia 60, 124 - 127 (2009).

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