Browse by Fellow

Number of items: 108.

Hazra, Arpan ; Bonakala, Satyanarayana ; Bejagam, Karteek K. ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2016) Host-Guest [2+2] Cycloaddition Reaction: Postsynthetic Modulation of CO2 Selectivity and Magnetic Properties in a Bimodal Metal-Organic Framework Chemistry - A European Journal, 22 (23). pp. 7792-7799. ISSN 0947-6539

Sunda, Anurag Prakash ; Mondal, Anirban ; Balasubramanian, Sundaram (2015) Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity Physical Chemistry Chemical Physics, 17 (6). pp. 4625-4633. ISSN 1463-9076

Narayan, Bhawani ; Bejagam, Karteek K. ; Balasubramanian, Sundaram ; George, Subi J. (2015) Autoresolution of Segregated and Mixed p‐n Stacks by Stereoselective Supramolecular Polymerization in Solution Angewandte Chemie International Edition, 54 (44). pp. 13053-13057. ISSN 1433-7851

Kulkarni, Chidambar ; Bejagam, Karteek K. ; Senanayak, Satyaprasad P. ; Narayan, K. S. ; Balasubramanian, S. ; George, Subi J. (2015) Dipole-Moment-Driven Cooperative Supramolecular Polymerization Journal of the American Chemical Society, 137 (11). pp. 3924-3932. ISSN 0002-7863

Payal, Rajdeep Singh ; Bejagam, Karteek K. ; Mondal, Anirban ; Balasubramanian, Sundaram (2015) Dissolution of Cellulose in Room Temperature Ionic Liquids: Anion Dependence The Journal of Physical Chemistry B, 119 (4). pp. 1654-1659. ISSN 1520-6106

Bejagam, Karteek K. ; Kulkarni, Chidambar ; George, Subi J. ; Balasubramanian, Sundaram (2015) External electric field reverses helical handedness of a supramolecular columnar stack Chemical Communications, 51 (89). pp. 16049-16052. ISSN 1359-7345

BONAKALA, SATYANARAYANA ; BALASUBRAMANIAN, SUNDARAM (2015) Modelling Gas Adsorption in Porous Solids: Roles of Surface Chemistry and Pore Architecture Journal of Chemical Sciences, 127 (10). pp. 1687-1699. ISSN 0974-3626

Roy, Sourav ; Karmakar, Tarak ; S. Prahlada Rao, Vasudeva ; K. Nagappa, Lakshmeesha ; Balasubramanian, Sundaram ; Balaram, Hemalatha (2015) Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase Molecular BioSystems, 11 (5). pp. 1410-1424. ISSN 1742-206X

Bejagam, Karteek K. ; Balasubramanian, Sundaram (2015) Supramolecular Polymerization: A Coarse Grained Molecular Dynamics Study Journal of Physical Chemistry B, 119 (17). pp. 5738-5746. ISSN 1520-6106

Mondal, Anirban ; Balasubramanian, Sundaram (2015) Vibrational Signatures of Cation–Anion Hydrogen Bonding in Ionic Liquids: A Periodic Density Functional Theory and Molecular Dynamics Study Journal of Physical Chemistry B, 119 (5). pp. 1994-2002. ISSN 1520-6106

Suresh, Venkata M. ; Bonakala, Satyanarayana ; Atreya, Hanudatta S. ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2014) Amide Functionalized Microporous Organic Polymer (Am-MOP) for Selective CO2 Sorption and Catalysis ACS Applied Materials & Interfaces, 6 (7). pp. 4630-4637. ISSN 1944-8244

Reddy, Sandeep K. ; Balasubramanian, Sundaram (2014) Carbonic acid: molecule, crystal and aqueous solution Chem. Commun., 50 (5). pp. 503-514. ISSN 1359-7345

Kulkarni, Chidambar ; Periyasamy, Ganga ; Balasubramanian, S. ; George, Subi J. (2014) Charge-transfer complexation between naphthalene diimides and aromatic solvents Physical Chemistry Chemical Physics, 16 (28). p. 14661. ISSN 1463-9076

Payal, Rajdeep Singh ; Balasubramanian, Sundaram (2014) Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study Phys. Chem. Chem. Phys., 16 (33). pp. 17458-17465. ISSN 1463-9076

Payal, Rajdeep Singh ; Balasubramanian, Sundaram (2014) Effect of cation symmetry on the organization of ionic liquids near a charged mica surface Journal of Physics: Condensed Matter, 26 (28). p. 284101. ISSN 0953-8984

Karmakar, Tarak ; Balasubramanian, Sundaram (2014) Elucidating the interaction of H 2 O 2 with polar amino acids – Quantum chemical calculations Chemical Physics Letters, 613 . pp. 5-9. ISSN 0009-2614

Haldar, Ritesh ; Reddy, Sandeep K. ; Suresh, Venkata M. ; Mohapatra, Sudip ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2014) Flexible and Rigid Amine-Functionalized Microporous Frameworks Based on Different Secondary Building Units: Supramolecular Isomerism, Selective CO2Capture, and Catalysis Chemistry - A European Journal, 20 (15). pp. 4347-4356. ISSN 0947-6539

Mondal, Anirban ; Balasubramanian, Sundaram (2014) Intermolecular structure in tri-n-butyl phosphate/n-octane mixtures: a molecular dynamics simulation study Journal of Physical Chemistry B, 106 (9). pp. 1235-1242. ISSN 1520-6106

Mondal, Anirban ; Balasubramanian, Sundaram (2014) A Molecular Dynamics Study of Collective Transport Properties of Imidazolium-Based Room-Temperature Ionic Liquids Journal of Chemical & Engineering Data, 59 (10). pp. 3061-3068. ISSN 0021-9568

Mondal, Anirban ; Balasubramanian, Sundaram (2014) Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force Field The Journal of Physical Chemistry B, 118 (12). pp. 3409-3422. ISSN 1520-6106

Bejagam, Karteek K. ; Fiorin, Giacomo ; Klein, Michael L. ; Balasubramanian, Sundaram (2014) Supramolecular Polymerization of Benzene-1,3,5-tricarboxamide: A Molecular Dynamics Simulation Study The Journal of Physical Chemistry B, 118 (19). pp. 5218-5228. ISSN 1520-6106

Suresh, Venkata M. ; Bonakala, Satyanarayana ; Roy, Syamantak ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2014) Synthesis, Characterization, and Modeling of a Functional Conjugated Microporous Polymer: CO2 Storage and Light Harvesting Journal of Physical Chemistry C, 118 (42). pp. 24369-24376. ISSN 1932-7447

Haldar, Ritesh ; Bonakala, Satyanarayana ; Kanoo, Prakash ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2014) Two 3D metal–organic frameworks of Cd(ii): modulation of structures and porous properties based on linker functionalities CrystEngComm, 16 (22). pp. 4877-4885. ISSN 1466-8033

Karmakar, Tarak ; Periyasamy, Ganga ; Balasubramanian, Sundaram (2013) CO2 Migration Pathways in Oxalate Decarboxylase and Clues about Its Active Site The Journal of Physical Chemistry B, 117 (41). pp. 12451-12460. ISSN 1520-6106

Hazra, Arpan ; Bonakala, Satyanarayana ; Reddy, Sandeep K. ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2013) Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3–: High CO2/N2 and CO2/CH4 Selectivity Inorganic Chemistry, 52 (19). pp. 11385-11397. ISSN 0020-1669

Payal, Rajdeep Singh ; Balasubramanian, Sundaram (2013) Homogenous mixing of ionic liquids: molecular dynamics simulations Physical Chemistry Chemical Physics, 15 (48). p. 21077. ISSN 1463-9076

Kulkarni, Chidambar ; Balasubramanian, Sundaram ; George, Subi J. (2013) What Molecular Features Govern the Mechanism of Supramolecular Polymerization? ChemPhysChem, 14 (4). pp. 661-673. ISSN 1439-4235

Singh Payal, Rajdeep ; Balasubramanian, Sundaram (2012) Orientational ordering of ionic liquids near a charged mica surface ChemPhysChem, 13 (7). pp. 1764-1771. ISSN 1439-4235

Singh, Kanchan ; Balasubramanian, S. ; Rani, B. E. Amitha (2012) Computational and Experimental Studies of Molecularly Imprinted Polymers for Organochlorine Pesticides Heptachlor and DDT Current Analytical Chemistry, 8 (4). pp. 562-568. ISSN 1573-4110

Payal, Rajdeep Singh ; Bharath, R. ; Periyasamy, Ganga ; Balasubramanian, S. (2012) Density functional theory investigations on the structure and dissolution mechanisms for cellobiose and xylan in an ionic liquid: Gas phase and cluster calculations The Journal of Physical Chemistry B, 116 (2). pp. 833-840. ISSN 1089-5647

Payal, Rajdeep Singh ; Balasubramanian, Sundaram (2012) Dynamic Atomic Force Microscopy for Ionic Liquids: Massless Model Shows the Way ChemPhysChem, 13 (13). pp. 3085-3086. ISSN 1439-4235

Reddy, Sandeep K. ; Balasubramanian, Sundaram (2012) Liquid Dimethyl Carbonate: A Quantum Chemical and Molecular Dynamics Study Journal of Physical Chemistry B, 116 (51). pp. 14892-14902.

Jayaramulu, Kolleboyina ; Reddy, Sandeep Kumar ; Hazra, Arpan ; Balasubramanian, Sundaram ; Maji, Tapas Kumar (2012) Three-Dimensional Metal–Organic Framework with Highly Polar Pore Surface: H2 and CO2 Storage Characteristics Inorganic Chemistry, 51 (13). pp. 7103-7111. ISSN 0020-1669

Reddy, Sandeep K ; Kulkarni, Chidambar H ; Balasubramanian, Sundaram (2012) Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study The Journal of Physical Chemistry A . ISSN 1089-5639

Kulkarni, Chidambar ; Reddy, Sandeep Kumar ; George, Subi J. ; Balasubramanian, Sundaram (2011) Cooperativity in the stacking of benzene-1,3,5-tricarboxamide: the role of dispersion Chemical Physics Letters, 515 (4-6). pp. 226-230. ISSN 0009-2614

Sarangi, S. S. ; Reddy, S. K. ; Balasubramanian, S. (2011) Low frequency vibrational modes of room temperature ionic liquids The Journal of Physical Chemistry B, 115 (8). pp. 1874-1880. ISSN 1089-5647

Sarangi, S. S. ; Raju, S. G. ; Balasubramanian, S. (2011) Molecular dynamics simulations of ionic liquid-vapour interfaces: effect of cation symmetry on structure at the interface Physical Chemistry Chemical Physics, 13 (7). pp. 2714-2722. ISSN 1463-9076

Reddy, Sandeep Kumar ; Kulkarni, Chidambar H. ; Balasubramanian, Sundaram (2011) Theoretical investigations of candidate crystal structures for β-carbonic acid The Journal of Chemical Physics, 134 (12). pp. 124511-124519. ISSN 0021-9606.

Sarangi, Soumya S. ; Zhao, Wei ; Florian Müller-Plathe, ; Balasubramanian, Sundaram (2010) Correlation between dynamic heterogeneity and local structure in a room-temperature ionic liquid: A molecular dynamics study of [bmim][PF₆] ChemPhysChem, 11 (9). pp. 2001-2010. ISSN 1439-4235

Raju, S. G. ; Balasubramanian, S. (2010) Molecular dynamics simulation of model room temperature ionic liquids with divalent anions Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 49A (5-6). pp. 721-726. ISSN 0376-4710.

Raju, S. G. ; Balasubramanian, S. (2010) Role of cation symmetry in intermolecular structure and dynamics of room temperature ionic liquids: simulation studies The Journal of Physical Chemistry B, 114 (19). pp. 6455-6463. ISSN 1520-6106

Karimi-Varzaneh, Hossein Ali ; Muller-Plathe, Florian ; Balasubramanian, Sundaram ; Carbone, Paola (2010) Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model Physical Chemistry Chemical Physics, 12 (18). pp. 4714-4724. ISSN 1463-9076

Raju, S. G. ; Balasubramanian, S. (2009) Aqueous solution of [bmim][PF6]: ion and solvent effects on structure and dynamics The Journal of Physical Chemistry B, 113 (14). pp. 4799-4806. ISSN 1089-5647

Saharay, Moumita ; Balasubramanian, Sundaram (2009) Ab initio molecular dynamics investigations of structural, electronic and dynamical properties of water in supercritical carbon dioxide Indian Journal of Physics, 83 (1). pp. 13-29. ISSN 0019-5480.

Balasubramanian, Sundaram ; Kohlmeyer, Axel ; Klein, Michael L. (2009) Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections The Journal of Chemical Physics, 131 (14). pp. 144506-144509. ISSN 0021-9606

Zhao, Wei ; Leroy, Frédéric ; Heggen, Berit ; Zahn, Stefan ; Kirchner, Barbara ; Balasubramanian, Sundaram ; Florian Müller-Plathe, (2009) Are there stable ion-pairs in room-temperature ionic liquids? molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate Journal of the American Chemical Society, 131 (43). pp. 15825-15833. ISSN 0002-7863

Raju, Srinivasa G. ; Balasubramanian, Sundaram (2009) Emergence of nanoscale order in room temperature ionic liquids: simulation of symmetric 1,3-didecylimidazolium hexafluorophosphate Journal of Materials Chemistry, 19 (25). pp. 4343-4347. ISSN 0959-9428

Raju, S. G. ; Balasubramanian, S. (2009) Intermolecular correlations in an ionic liquid under shear Journal of Physics: Condensed Matter, 21 (3). No pp. given. ISSN 0953-8984

Sarangi, S. S. ; Bhargava, B. L. ; Balasubramanian, S. (2009) Nanoclusters of room temperature ionic liquids: a molecular dynamics simulation study Physical Chemistry Chemical Physics, 11 (39). pp. 8745-8751. ISSN 1463-9076

Bhargava, B. L. ; Krishna, A. C. ; Balasubramanian, S. (2008) Molecular dynamics simulation studies of CO₂ - [bmim][PF₆] solutions: Effect of CO₂ concentration AIChE Journal, 54 (11). pp. 2971-2978. ISSN 0001-1541

Bhargava, B. L. ; Saharay, M. ; Balasubramanian, Sundaram (2008) Ab initio studies on [bmim][PF₆]-CO₂ mixture and CO₂ clusters Bulletin of Materials Science, 31 (3). pp. 327-334. ISSN 0250-4707

Zhao, Wei ; Leroy, Frédéric ; Balasubramanian, Sundaram ; Müller-Plathe, Florian (2008) Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][PF₆] computed by reverse nonequilibrium molecular dynamics The Journal of Physical Chemistry B, 112 (27). pp. 8129-8133. ISSN 1089-5647

Lokegowda Bhargava, B. ; Klein, Michael L. ; Balasubramanian, Sundaram (2008) Structural correlations and charge ordering in a room-temperature ionic liquid ChemPhysChem, 9 (1). pp. 67-70. ISSN 1439-4235

Bhargava, B. L. ; Balasubramanian, S. (2008) Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixture The Journal of Physical Chemistry B, 112 (25). pp. 7566-7573. ISSN 1089-5647

Bhargava, B. L. ; Balasubramanian, Sundaram ; Klein, Michael L. (2008) Modelling room temperature ionic liquids Chemical Communications, 2008 (29). pp. 3339-3351. ISSN 0009-241X

Saharay, Moumita ; Balasubramanian, Sundaram (2007) Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure: an ab initio molecular dynamics study The Journal of Physical Chemistry B, 111 (2). pp. 387-392. ISSN 1520-6106

Bhargava, B. L. ; Balasubramanian, S. (2007) Probing anion–carbon dioxide interactions in room temperature ionic liquids: gas phase cluster calculations Chemical Physics Letters, 444 (4-6). pp. 242-246. ISSN 0009-2614

Bhargava, B. L. ; Balasubramanian, S. (2007) Insights into the structure and dynamics of a room-temperature ionic liquid: ab initio molecular dynamics simulation studies of 1-n-Butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF₆]) and the [bmim][PF₆]−CO₂ mixture The Journal of Physical Chemistry B, 111 (17). pp. 4477-4487. ISSN 1520-6106

Bhargava, Lokegowda B. ; Devane, Russell ; Klein, Michael L. ; Balasubramanian, Sundaram (2007) Nanoscale organization in room temperature ionic liquids: a coarse grained molecular dynamics simulation study Soft Matter, 3 (11). pp. 1395-1400. ISSN 1744-683X

Bhargava, B. L. ; Balasubramanian, S. (2007) Refined potential model for atomistic simulations of ionic liquid [bmim][PF₆] Journal of Chemical Physics, 127 (11). 114510_1-114510_6. ISSN 0021-9606

Bhargava, B. L. ; Balasubramanian, S. (2006) Intermolecular structure and dynamics in an ionic liquid: a Car-Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride Chemical Physics Letters, 417 (4-6). pp. 486-491. ISSN 0009-2614

Saharay, Moumita ; Balasubramanian, Sundaram (2006) Electron donor-acceptor interactions in ethanol-CO₂ mixtures: an ab Initio molecular dynamics study of supercritical carbon dioxide The Journal of Physical Chemistry B, 110 (8). pp. 3782-3790. ISSN 1089-5647

Bhargava, B. L. ; Balasubramanian, S. (2006) Layering at an ionic liquid-vapor interface: A molecular dynamics simulation study of [bmim][PF₆] Journal of the American Chemical Society, 128 (31). pp. 10073-10078. ISSN 0002-7863

Sloutskin, E. ; Lynden-Bell, R. M. ; Balasubramanian, S. ; Deutsch, M. (2006) The surface structure of ionic liquids: comparing simulations with X-ray measurements Journal of Chemical Physics, 125 (17). pp. 4715-174721. ISSN 0021-9606

Pal, Subrata ; Bagchi, Biman ; Balasubramanian, Sundaram (2005) Hydration layer of a cationic micelle, C₁₀TAB: structure, rigidity, slow reorientation, hydrogen bond lifetime, and solvation dynamics The Journal of Physical Chemistry B, 109 (26). pp. 12879-12890. ISSN 1520-6106

Bandyopadhyay, Sanjoy ; Chakraborty, Sudip ; Balasubramanian, Sundaram ; Bagchi, Biman (2005) Sensitivity of polar solvation dynamics to the secondary structures of aqueous proteins and the role of surface exposure of the probe Journal of the American Chemical Society, 127 (11). pp. 4071-4075. ISSN 0002-7863

Bhargava, B. L. ; Balasubramanian, S. (2005) Dynamics in a room-temperature ionic liquid: a computer simulation study of 1,3-dimethylimidazolium chloride The Journal of Chemical Physics, 123 (14). pp. 144505-144513. ISSN 0021-9606

Krishnan, M. ; Balasubramanian, Sundaram (2005) Phase behaviour of ultrathin crystalline n-heptane films on graphite: an atomistic simulation study Physical Chemistry Chemical Physics, 7 (9). pp. 2044-2052. ISSN 1463-9076

Krishnan, M. ; Balasubramanian, Sundaram (2004) n-Heptane under pressure: structure and dynamics from molecular simulations The Journal of Physical Chemistry B, 109 (5). pp. 1936-1946. ISSN 1089-5647

Saharay, Moumita ; Balasubramanian, Sundaram (2004) Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide ChemPhysChem, 5 (9). pp. 1442-1445. ISSN 1439-4235

Bandyopadhyay, Sanjoy ; Chakraborty, Sudip ; Balasubramanian, Sundaram ; Pal, Subrata ; Bagchi, Biman (2004) Atomistic simulation study of the coupled motion of amino acid residues and water molecules around protein HP-36: fluctuations at and around the active sites Journal of Physical Chemistry B, 108 (3). pp. 12608-12616. ISSN 1089-5647

Krishnan, M. ; Balasubramanian, S. (2004) Order-disorder transitions and melting in a helical polymer crystal: molecular dynamics calculations of model poly(ethylene oxide) Chemical Physics Letters, 385 (5-6). pp. 351-356. ISSN 0009-2614

Saharay, Moumita ; Balasubramanian, Sundaram (2004) Ab initio molecular-dynamics study of supercritical carbon dioxide The Journal of Chemical Physics, 120 (20). pp. 9694-9702. ISSN 0021-9606

Pal, Subrata ; Balasubramanian, Sundaram ; Bagchi, Biman (2004) Anomalous dielectric relaxation of water molecules at the surface of an aqueous micelle The Journal of Chemical Physics, 120 (4). 1912_1-1912_9. ISSN 0021-9606

Krishnan, M. ; Balasubramanian, S. ; Clarke, S. (2003) Structure of solid monolayers and multilayers of n-hexane on graphite Proceedings of the Indian Academy of Sciences - Chemical Sciences, 115 (5-6). pp. 663-677. ISSN 0253-4134

Balasubramanian, Sundaram ; Bandyopadhyay, Sanjoy ; Pal, Subrata ; Bagchi, Biman (2003) Dynamics of water at the interface of a small protein, enterotoxin Current Science, 85 (11). pp. 1571-1578. ISSN 0011-3891

Pal, Subrata ; Balasubramanian, Sundaram ; Bagchi, Biman (2003) Identity, energy, and environment of interfacial water molecules in a micellar solution The Journal of Physical Chemistry B, 107 (22). pp. 5194-5202. ISSN 1520-6106

Balasubramanian, Sundaram ; Pal, Subrata ; Bagchi, Biman (2003) Evidence for bound and free water species in the hydration shell of an aqueous micelle Current Science, 84 (3). pp. 428-430. ISSN 0011-3891

Pal, Subrata ; Balasubramanian, Sundaram ; Bagchi, Biman (2003) Dynamics of bound and free water in an aqueous micellar solution: analysis of the lifetime and vibrational frequencies of hydrogen bonds at a complex interface Physical Review E, 67 (6). 061502_1-061502_10. ISSN 1063-651X

Krishnan, M. ; Balasubramanian, S. (2003) Vibrational dynamics of solid poly(ethylene oxide) Physical Review B: Condensed Matter and Materials Physics, 68 (6). 064304_1-064304_10. ISSN 1098-0121

Krishnan, M. ; Balasubramanian, S. ; Clarke, S. (2003) An atomistic simulation study of a solid monolayer and trilayer of n-hexane on graphite The Journal of Chemical Physics, 118 (11). pp. 5082-5086. ISSN 0021-9606

Khandkar, M. D. ; Balasubramanian., S. (2002) Argon multilayers on a corrugated surface: effect of coverage on structure Chemical Physics Letters, 362 (1-2). pp. 144-150. ISSN 0009-2614

Pal, Subrata ; Balasubramanian, Sundaram ; Bagchi, Biman (2002) Temperature dependence of water dynamics at an aqueous micellar surface: atomistic molecular dynamics simulation studies of a complex system Journal of Chemical Physics, 117 (6). pp. 2852-2859. ISSN 0021-9606

Balasubramanian, Sundaram ; Pal, Subrata ; Bagchi, Biman (2002) Dynamics of water molecules at the surface of an aqueous micelle: atomistic molecular dynamics simulation study of a complex system Current Science, 82 (7). pp. 845-854. ISSN 0011-3891

Balasubramanian, S. ; Bagchi, B. (2002) Slow orientational dynamics of water molecules at a micellar surface The Journal of Physical Chemistry B, 106 (14). pp. 3668-3672. ISSN 1520-6106

Balasubramanian, Sundaram ; Pal, Subrata ; Bagchi, Biman (2002) Hydrogen-bond dynamics near a micellar surface: origin of the universal slow relaxation at complex aqueous interfaces Physical Review Letters, 89 (11). 115505_1-115505_4. ISSN 0031-9007

Krishnan, M. ; Verma, A. ; Balasubramanian, S. (2001) Computer simulation study of water using a fluctuating charge model Proceedings of the Indian Academy of Sciences - Chemical Sciences, 113 (5-6). pp. 579-590. ISSN 0253-4134

Balasubramanian, S. ; Bagchi, Biman (2001) Slow solvation dynamics near an aqueous micellar surface The Journal of Physical Chemistry B, 105 (50). pp. 12529-12533. ISSN 1520-6106

Balasubramanian, Sundaram ; Mundy, Christopher J. (1999) Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation Bulletin of Materials Science, 22 (5). pp. 873-876. ISSN 0250-4707

Balasubramanian, Sundaram ; Mundy, Christopher J. ; Klein, Michael L. (1998) Trimethylaluminum: a computer study of the condensed phases and the gas dimer The Journal of Physical Chemistry B, 102 (50). pp. 10136-10141. ISSN 1089-5647

Bagchi, Ken ; Balasubramanian, Sundaram ; Klein, Michael L. (1997) The effects of pressure on structural and dynamical properties of associated liquids: Molecular dynamics calculations for the extended simple point charge model of water Journal of Chemical Physics, 107 (20). pp. 8561-8567. ISSN 0021-9606

Mundy, Christopher J. ; Balasubramanian, Sundaram ; Klein, Michael L. (1997) Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics Physica A: Statistical Mechanics and its Applications, 240 (1-2). pp. 305-314. ISSN 0378-4371

Tuckerman, Mark E. ; Mundy, Christopher J. ; Balasubramanian, Sundaram ; Klein, Michael L. (1997) Modified nonequilibrium molecular dynamics for fluid flows with energy conservation Journal of Chemical Physics, 106 (13). pp. 5615-5621. ISSN 0021-9606

Balasubramanian, S. ; Mundy, Christopher J. ; Klein, Michael L. (1996) Shear viscosity of polar fluids: Molecular dynamics calculations of water The Journal of Chemical Physics, 105 (24). pp. 11190-11195. ISSN 0021-9606

Bagchi, Ken ; Balasubramanian, Sundaram ; Mundy, Christopher J. ; Klein, Michael L. (1996) Profile unbiased thermostat with dynamical streaming velocities The Journal of Chemical Physics, 105 (24). pp. 11183-11186. ISSN 0021-9606.

Mundy, Christopher J. ; Balasubramanian, S. ; Bagchi, Ken ; Ilja Siepmann, J. ; Klein, Michael L. (1996) Equilibrium and non-equilibrium simulation studies of fluid alkanes in bulk and at interfaces Faraday Discussions, 104 . pp. 17-36. ISSN 1359-6640

Mundy, Christopher J. ; Balasubramanian, Sundaram ; Klein, Michael L. (1996) Hydrodynamic boundary conditions for confined fluids via a nonequilibrium molecular dynamics simulation The Journal of Chemical Physics, 105 (8). pp. 3211-3215. ISSN 0021-9606

Balasubramanian, S. ; Klein, Michael L. (1996) Simulation studies of ultrathin films of linear and branched alkanes on a metal substrate Journal of Physical Chemistry, 100 (29). pp. 11960-11963. ISSN 0022-3654.

Balasubramanian, S. ; Rao, K. J. (1995) A molecular dynamics study of the mixed alkali effect in silicate glasses Journal of Non-Crystalline Solids, 181 (1-2). pp. 157-174. ISSN 0022-3093

Balasubramanian, Sundaram ; Klein, Michael L. ; Siepmann, Ilja J. (1995) Monte carlo investigations of hexadecane films on a metal substrate Journal of Chemical Physics, 103 (8). 3184_1-3184_12. ISSN 0021-9606

Balasubramanian, S. ; Rao, K. J. (1994) Molecular dynamics investigation of structure and transport in the K₂O-2SiO₂ System using a partial charge based model potential Journal of Physical Chemistry, 98 (42). pp. 10871-10880. ISSN 0022-3654

Balasubramanian, S. ; Rao, K. J. (1994) A molecular dynamics study of atomic correlations in glassy B₂S₃ Journal of Physical Chemistry, 98 (37). pp. 9216-9221. ISSN 0022-3654

Balasubramanian, S. ; Rao, K. J. (1993) Preferential paths in alkali ion migration and the mixed alkali effect in silicate glasses Journal of Physical Chemistry, 97 (35). pp. 8835-8838. ISSN 0022-3654

Rao, K. J. ; Balasubramanian, S. ; Damodaran, K. V. (1993) A molecular dynamics investigation of the structures and mixed alkali effect in sulfate glasses Journal of Solid State Chemistry, 106 (1). pp. 174-183. ISSN 0022-4596

Balasubramanian, S. ; Damodaran, K. V. ; Rao, K. J. (1992) A molecular dynamics study of amorphous selenium Chemical Physics, 166 (1-2). pp. 131-137. ISSN 0301-0104

Balasubramanian, S. ; Rao, K. J. (1989) Electronegativities of constituent atoms and T_c of superconductors Solid State Communications, 71 (11). pp. 979-982. ISSN 0038-1098

Ayyub, P. ; Balasubramanian, S. ; Guptasarma, P. ; Rajarajan, A. K. ; Manivannan, V. ; Gupta, L. C. ; Multani, M. S. ; Vijayaraghavan, R. (1987) Superconductivity in TmBa₂Cu₃O_9−x Journal of Physics C: Solid State Physics, 20 (25). L621-L621. ISSN 0022-3719

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