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  1. Madhura Marathe, Alejandra Diaz Ortiz and Shobhana Narasimhan, Ab initio and cluster expansion study of surface alloys of Fe and Au on Ru(0001) and Mo(110): Importance of magnetism, Physical Review B 88, 245442 (2013).

  2. Arun K Manna and Swapan K Pati, Stability and Electronic Structure of Carbon Capsules with Superior Gas Storage Properties: A Theoretical Study, Chem. Phys. 426, 23 - 30 (2013).

  3. Arkamita Bandyopadhyay and Swapan K. Pati, Organic Molecules Adsorption on Single Layer MoS2: A Theoretical Study, Soc. Mat. Chem. Bulletin 4, 1 - 4 (2013).

  4. Pramod Kumar and N. S. Vidhyadhiraja, Dynamics of valence fluctuations in the extended periodic Anderson model, Journal of Physical Society of Japan (Suppl.) (2013). In Press.

  5. N. S. Vidhyadhiraja and Pramod Kumar, Non-Fermi-liquid behavior from dynamical effects of impurity scattering in correlated Fermi liquids, Physical Review B 88, 195120 (2013).

  6. SRKC Sharma Yamijala, Arkamita Bandyopadhyay and Swapan K. Pati, Structural Stability, Electronic, Magnetic and Optical Properties of Rectangular Graphene and Boron-Nitride Quantum Dots: Effects of Size, Substitution and Electric Field, J. Phys. Chem. C 117, 23295 - 23304 (2013).

  7. Dibyajyoti Ghosh, Ganga Periyasamy, and Swapan K Pati, Adsorption of HF Pollutant on Single Vacant 2D Nanosheets: Ab Initio Molecular Dynamics Study, J. Phys. Chem. C 117, 21700 - 21705 (2013).

  8. Pralok K Samanta and Swapan K Pati, Structural, Electronic and Photophysical Properties of Analogous RNA Nucleosides: A Theoretical Study, New Journal of Chemistry 37, 3640 - 3646 (2013).

  9. Sananda Biswas, Sadanand Deshpande, Derren Dunn and Shobhana Narasimhan, Tuning Patterning Conditions by Co-adsorption of Gases: Br2 and H2 on Si(001), J. Chem. Phys. 139, 184713 (2013).

  10. Kanchan Ulman, Rajesh Sathiyanarayanan, R.K. Pandey, K.V.R.M. Murali and Shobhana Narasimhan, Dielectric properties of Si3−ξGeξN4 and Si3−ξCξN4: A density functional study, Journal of Applied Physics 113, 234102 - 234103 (2013).

  11. Kanchan Ulman, Mighfar Imam, Shobhana Narasimhan, Anders Odell and Anna Delin, Theoretical Study of Spin Conduction in the Ni/DTE/Ni Nanohybrid, Nano Hybrids 4, 1 - 20 (2013).

  12. Sutapa Roy and Subir K. Das, Simulation of Transport around the Coexistence Region of a Binary Fluid, Journal of Chemical Physics 139, 064505 (2013).

  13. M. B. Avinash, P. K. Samanta, K. V. Sandeepa, S. K. Pati, and T. Govindaraju, Molecular architectonics of stereochemically constrained pi–complementary functional modules, Eur. J. Org. Chem 2013, 5838 - 5847 (2013).

  14. Sutapa Roy and Subir K. Das, Effects of Domain Morphology on Kinetics of Fluid Phase Separation, Journal of Chemical Physics 139, 044911 (2013).

  15. Saugata Patra and Subir K. Das, A Comparative Study of Nonequilibrium Dynamics in Complex and Real Ginzburg-Landau Equations, European Physical Journal E 36, 130 (2013).

  16. Suman Majumder and Subir K. Das, Effects of Density Conservation and Hydrodynamics on Aging in Nonequilibrium Processes, Physical Review Letters 111, 055503 (2013).

  17. S. Mohakud, Ayan Datta and S. K. Pati, Theoretical Framework for Charge Carrier Mobility in Organic Molecular Solids (Book Chapter, Book Title : "Concepts and Methods in Modern Theoretical Chemistry:Statistical Mechanics" edited by Swapan Kumar Ghosh and Patim Kumar Chattaraj), CRC Press Taylor & Francis Group, ISBN: 978-1-4665-0620-6 163 - 181 (2013).

  18. A. Chakraborty, L. S. Rao, A. K. Manna, S. K. Pati, J. Ribas and T. K. Maji, Discrete dinuclear complex to extended 2D compound in Cu-azido system by controlling coligand stoichiometry: Synthesis and magneto-structural correlations, Dalton Transactions (2013). In Press.

  19. Arkamita Bandyopadhyay, Sharma SRKC Yamijala and Swapan K Pati, Tuning the Electronic and Optical properties of Graphene and Boron-Nitride Quantum Dots through Molecular Charge-transfer Interactions, Phys. Chem. Chem. Phys. 15, 13881 - 13887 (2013).

  20. Arun K. Manna and Swapan K Pati, "Effect of Edge States on the Electronic, Magnetic and Transport Properties of BN-Fused Polyacene Zigzag Nanoribbons", J. Mater. Chem. C 1, 3439 - 3447 (2013).

  21. Robert A. Sayer, Jeffrey D. Engerer, N. S. Vidhyadhiraja and Timothy S. Fisher, Length and temperature dependent 1/f noise in vertical single-walled carbon nanotube arrays  , Journal of Applied Physics 113, 144306 (2013).

  22. Arun K. Manna and Swapan K Pati, "Computational Studies on Non-covalent Interactions of Carbon and Boron Fullerenes with Graphene", ChemPhysChem 14, 1844 - 1852 (2013).

  23. Pallavi Bothra, Ganga Periyasamy, Swapan K. Pati, Methane formation from the hydrogenation of Carbon dioxide on Ni (110) surface - A Density Functional Theoretical Study, Phys. Chem. Chem. Phys. 15, 5701 - 5706 (2013).

  24. Suman Majumder and Subir K. Das, Temperature and Composition Dependence of Kinetics of Phase Separation in Solid Binary Mixtures, Physical Chemistry Chemical Physics 15, 13209 (2013).

  25. Sanjay Puri, Prabhat K. Jaiswal and Subir K. Das, Surface-Directed Spinodal Decomposition and Enrichment in Fluid Mixtures: Molecular Dynamics Simulations, European Physical Journal - Special Topics 222, 961 (2013).

  26. Sutapa Roy and Subir K. Das, Dynamics and Growth of Droplets Close to the Two-Phase Coexistence Curve in Fluids, Soft Matter 9, 4178 - 4187 (2013).

  27. Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati, Structural, optical and hydrogen adsorption properties of B9/metal-B9 clusters: A Density Functional Theoretical Study, Phys. Chem. Chem. Phys. 15 , 8303 - 8310 (2013).

  28. Subir K. Das and Kurt Binder, Nucleation, Crticality and Symmetry, AsiaPacific Physics NewsLetter 2, 25 (2013).

  29. Subir K. Das, Unlocking of Frozen Dynamics in the Complex Ginzburg-Landau Equation, Physical Review E 87, 012135 (2013).

  30. SRKC Sharma Yamijala and Swapan K Pati, Electronic and Magnetic Properties of Zigzag Boron-Nitride Nanoribbons with Even and Odd-line Stone-Wales (5-7 pair) Defects, J. Phys. Chem. C 117 , 3580 - 3594 (2013).

  31. Somananda Sanyal, Arun K. Manna, Swapan K. Pati, Effect of Imide Functionalization on the Electronic, Optical and Charge Transport Properties of Coronene: A Theoretical Study  , J. Phys. Chem. C 117, 825 - 836 (2013).

  32. Arun K. Manna and Swapan K. Pati, Theoretical understanding of single-stranded DNA assisted dispersion of graphene, J. Mater. Chem. B 1, 091 - 100 (2013).

  33. Sasmita Mohakud and Swapan K. Pati, Inter- and Intrachain Charge Transport in Conjugated Organic Polymers: Case Studies for F8BT and F8TT Polymers, (2013).

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