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  1. R. Pushpa, S. Narasimhan and U.V. Waghmare, Symmetries, vibrational instabilities and routes to stable structures of clusters of Al, Sn and As, J. Chem. Phys. 121, 5211 - 5220 (2004).

  2. S. Narasimhan, Ab Initio Calculations of Metal Surfaces, Transactions of the Materials Research Society of Japan 29, 19 - 24 (2004).

  3. S. Narasimhan, Stress, Strain and Charge Transfer in the Ag/Pt(111) System: A Test of Continuum Elasticity Theory, Physical Review B 69, 045425 - 045442 (2004).

  4. S. Chakrabarti, Swapan Pati, M. A. Green and S. Natarajan, Hydrothermal synthesis, structure and magnetic properties of a new three-dimensional iron arsenate [C6N4H21][FeIII3(HAsO4)6], Eur. J. Inorg. Chem. 19, 3846 (2004).

  5. Ayan Datta and Swapan K. Pati, Charge-transfer induced large nonlinear optical properties of small Al Clusters: Al4Li4 (M=Li, Na and K), J. Phys. Chem. 9527 (2004).

  6. Swapan K. Pati, Extremely Large Nonlinear Absorption Cross Sections in Organic Polymeric Chains, Europhysics Letters 68, 426 (2004).

  7. S. Lakshmi and Swapan K. Pati, Effect of electron-phonon coupling on the conductance of a One-dimensional Molecular Wire, J. Chem. Phys. 121, 11998 (2004).

  8. Debabrata Parihari and Swapan K. Pati, Effect of chiral interactions in frustrated magnetic chains, Phys. Rev B (rapid comm.) 70, 180403 R (2004).

  9. S. Mandal, Swapan K. Pati, M. A. Green and S. Natarajan, Magnetic Studies on a New Low-Dimensional Antiferromagnetic Iron-Phosphate, J. Phys. Chem. 20351 (2004).

  10. Ayan Datta and Swapan K. Pati, Effects of dipole orientations on nonlinear optical properties of oxo-bridged di-nitroaniline systems, J. Phys. Chem.A 108, 320 (2004).

  11. Swapan K. Pati and S. Ramasesha, Model exact many-body studies of charge transfer through bridged systems, J. Phys. Condens. Matter 16, 989 (2004).

  12. A.Thirumagan, Swapan Pati, M. A. Green and S. Natarajan, A Gadolinium Diphenate Coordination Polymer, [Gd2(H2O)2 (C14H8O4)3], with one-dimensional strcuture, J. Inorg. Gen. Chem. 630, 579 (2004).

  13. S. Soulette, M. Drillon, P. Rabu and Swapan Pati, Antiferromagnetic Heisenberg spin-1 chain: Magnetic susceptibility of the Haldane chain described using scaling, Phys. Rev. 54410 (2004).

  14. Priya Gopal, Nicola Spaldin and U. V. Waghmare, First-principles study of wurtzite-structure MnO, Phys Rev B 70, 205104 (2004).

  15. R. Pushpa, S. Narasimhan and U. V. Waghmare, Symmetry, Vibrational Instabilities and Origins of Structural Stability of Small Clusters of Al, Sn and As, J. Chem. Phys. 121, 5211 (2004).

  16. B. P. Burton, E. J. Cockayne and U. V. Waghmare, Random Fields in Relaxor Ferroelectrics, TMS Letters 1, 29 (2004).

  17. U. V. Waghmare, M. H. F. Sluiter, T. Kimura, T. Goto and Y. Kawazoe, A lead-free high-TC ferroelectric BaTi2O5: A first-principles study, Appl. Phys. Lett. 84, 4917 (2004).

  18. S. S. Ashwin, U. V. Waghmare and S. Sastry, Metal-nonmetal transition in supercooled liquid silicon, Phys. Rev. Lett. 92, 175701 (2004).

  19. S. S. Ashwin, Umesh V. Waghmare and Srikanth Sastry, Metal to non-metal transition in supercooled liquid silicon, Phys. Rev. Lett. 92, 175701 (2004).

  20. S. Sastry, Numerical Test of Stillinger's Argument Concerning the Kauzmann Paradox, J. Phys. Chem. B 108, 19698 - 19702 (2004).

  21. S. S. Ashwin, Y. Brumer, D. R. Reichman and Srikanth Sastry, The relationship between mechanical and dynamical properties of glass forming liquids, J. Phys. Chem. B 108, 19703 - 19710 (2004).

  22. N S Vidhyadhiraja and David E Logan, Dynamics and scaling in the periodic Anderson model, European Physical Journal B 39, 313 - 334 (2004).

  23. Subir K. Das, Juergen Horbach and Kurt Binder, The Bulk Viscosity of a symmetrical Lennard-Jones mixture above and at liquid-liquid coexistence: A computer simulation study, Phase Transitions 77, 823 (2004).

  24. Kurt Binder, Subir K. Das, Juergen Horbach, Marcus M?ller, Richard Vink and Peter Virnau, Simulation of Transport in Partially Miscible Binary Fluids: Combination of Semigrandcanonical Monte Carlo and Molecular Dynamics Methods, Review Article in Multiscale Modelling and Simulation, Lecture Notes in Computational Science and Engineering, edited by S. Attinger and P. Koumoutsakos:Springer, Berlin 39, 169 (2004).


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