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Number of items: 99.

Marx, Dominik ; Chandra, Amalendu ; Tuckerman, Mark E. (2010) Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton Chemical Reviews, 110 (4). pp. 2174-2216. ISSN 0009-2665

Chowdhuri, Snehasis ; Chakraborty, Debashree ; Chandra, Amalendu (2009) Pressure effects on diffusion in liquid ammonia: a simulation study using a combination of isobaric-isothermal and microcanonical molecular dynamics Indian Journal of Physics, 83 (1). pp. 91-100. ISSN 0019-5480

Pratihar, Subha ; Chandra, Amalendu (2008) Microscopic solvation of a lithium atom in water-ammonia mixed clusters: solvent coordination and electron localization in presence of a counterion Journal of Chemical Physics, 129 (2). 024511_1-024511_11. ISSN 1674-0068

Rana, Malay ; Chandra, Amalendu (2008) Water structure near single and multi-layer nanoscopic hydrophobic plates of varying separation and interaction potentials Bulletin of Material science, 31 (3). pp. 525-532. ISSN 0250-4707

Mallik, Bhabani S. ; Semparithi, A. ; Chandra, Amalendu (2008) Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles Journal of Physical Chemistry A, 112 (23). pp. 5104-5112. ISSN 1089-5639

Paul, Sandip ; Chandra, Amalendu (2008) Structure and dynamics of water at liquid-vapour interfaces covered by surfactant monolayers of neutral stearic acid and charged stearate ions Journal of Molecular Liquids, 140 (1-3). pp. 33-38. ISSN 0167-7322

Nag, A. ; Chakraborty, D. ; Chandra, A. (2008) Effects of ion concentration on the hydrogen bonded structure of water in the vicinity of ions in aqueous NaCl solutions Journal of Chemical Sciences, 120 (1). pp. 71-77. ISSN 0253-4134

Gupta, Rini ; Chandra, Amalendu (2008) Single particle and pair dynamics in water-formic acid mixtures containing ionic and neutral solutes: nonideality in dynamical properties Journal of Chemical Physics, 128 (18). 184506_1-184506_10. ISSN 1674-0068

Mallik, Bhabani S. ; Chandra, Amalendu (2008) Vibrational spectral diffusion in supercritical D2O from first principles: an interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation Journal of Physical Chemistry A, 112 (51). pp. 13518-13527. ISSN 1089-5639

Mallik, Bhabani S. ; Chandra, Amalendu (2008) An ab initio molecular dynamics study of the frequency dependence of rotational motion in liquid water Journal of Molecular Liquids, 143 (1). pp. 31-34. ISSN 0167-7322

Mallik, Bhabani S. ; Semparithi, A. ; Chandra, Amalendu (2008) A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl¯ ions Journal of Chemical Physics, 129 (19). p. 194512. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2007) Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids Journal of Physical chemistry B, 111 (43). pp. 12500-12507. ISSN 1089-5647

Rana, Malay ; Chandra, Amalendu (2007) Filled and empty states of carbon nanotubes in water: dependence on nanotube diameter, wall thickness and dispersion interactions Journal of Chemical Sciences, 119 (5). pp. 367-376. ISSN 0253-4134

Pratihar, Subha ; Chandra, Amalendu (2007) Electron solvation in water-ammonia mixed clusters: structure, energetics, and the nature of localization states of the excess electron Journal of Chemical Physics, 126 (23). 234510_1-234510_13. ISSN 1674-0068

Chandra, Amalendu ; Marx, Dominik (2007) Creating interfaces by stretching the solvent is key to metallic ammonia solutions Angewandte Chemie International Edition, 46 (20). pp. 3676-3679. ISSN 1433-7851

Chandra, Amalendu ; Tuckerman, Mark E. ; Marx, Dominik (2007) Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions Physical Review Letters, 99 (14). 145901_1-145901_4. ISSN 0031-9007

Gupta, Rini ; Chandra, Amalendu (2007) Nonideality in diffusion of ionic and hydrophobic solutes and pair dynamics in water-acetone mixtures of varying composition Journal of Chemical Physics, 127 (2). 024503_1-024503_10. ISSN 1674-0068

Tuckerman, Mark E. ; Chandra, Amalendu ; Marx, Dominik (2006) Structure and dynamics of OH-(aq) Accounts of Chemical Research, 39 (2). pp. 151-158. ISSN 0001-4842

Chowdhuri, Snehasis ; Chandra, Amalendu (2006) Dynamics of halide ion-water hydrogen bonds in aqueous solutions: dependence on ion size and temperature The Journal of Physical Chemistry B, 110 (19). pp. 9674-9680. ISSN 1089-5647

Mallik, Bhabani S. ; Chandra, Amalendu (2006) Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: dependence on ion size and density Journal of Chemical Physics, 125 (23). 234502_1-234502_9. ISSN 1674-0068

Chowdhuri, Snehasis ; Chandra, Amalendu (2006) Solute size effects on the solvation structure and diffusion of ions in liquid methanol under normal and cold conditions Journal of Chemical Physics, 124 (8). 084507_1-084507_8. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2005) Hydrogen bond properties and dynamics of liquid-vapor interfaces of aqueous methanol solutions Journal of Chemical Theory and Computation, 1 (6). pp. 1221-1231. ISSN 1549-9618

Chandra, Amalendu ; Bankura, Arindam (2005) Hydration and translocation of an excess proton in water clusters: an ab initio molecular dynamics study Pramana - Journal of Physics, 65 (4). pp. 763-768. ISSN 0304-4289

Paul, Sandip ; Chandra, Amalendu (2005) Molecular dynamics study of the liquid-vapor interface of acetonitrile: equilibrium and dynamical properties Journal of Physical Chemistry B, 109 (43). pp. 20558-20564. ISSN 1089-5647

Chowdhuri, Snehasis ; Chandra, Amalendu (2005) Dynamics of ionic and hydrophobic solutes in water-methanol mixtures of varying composition Journal of Chemical Physics, 123 (23). 234501_1-234501_8. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2005) Liquid-vapor interfaces of water-acetonitrile mixtures of varying composition Journal of Chemical Physics, 123 (18). 184706_1-184706_8. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2005) Liquid-vapor interfacial properties of water-ammonia mixtures: dependence on ammonia concentration Journal of Chemical Physics, 123 (17). 174712_1-174712_9. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2004) Binding of hydrogen bonding solutes at liquid-vapour interfaces of molecular fluids Chemical Physics Letters, 400 (4-6). pp. 515-519. ISSN 0009-2614

Paul, Sandip ; Chandra, Amalendu (2004) Hydrogen bond dynamics at vapour-water and metal-water interfaces Chemical Physics Letters, 386 (4-6). pp. 218-224. ISSN 0009-2614

Paul, Sandip ; Chandra, Amalendu (2003) Liquid-vapor interfaces of simple electrolyte solutions: molecular dynamics results for ions in Stockmayer fluids Journal of Physical Chemistry B, 107 (46). pp. 12705-12712. ISSN 1089-5647

Boese, Daniel ; Chandra, Amalendu ; Martin, Jan M. L. ; Marx, Dominik (2003) From ab initio quantum chemistry to molecular dynamics: the delicate case of hydrogen bonding in ammonia Journal of Chemical Physics, 119 (12). pp. 5965-5980. ISSN 1674-0068

Chowdhuri, Snehasis ; Chandra, Amalendu (2003) Hydration structure and diffusion of ions in supercooled water: ion size effects Journal of Chemical Physics, 118 (21). pp. 9719-9725. ISSN 1674-0068

Paul, Sandip ; Chandra, Amalendu (2003) Dynamics of water molecules at liquid-vapour interfaces of aqueous ionic solutions: effects of ion concentration Chemical Physics Letters, 373 (1-2). pp. 87-93. ISSN 0009-2614

Chowdhuri, Snehasis ; Chandra, Amalendu (2003) Pressure effects on the tracer diffusion and orientational relaxation of hydrogen bonding solutes in ambient and supercooled water Chemical Physics Letters, 373 (1-2). pp. 79-86. ISSN 0009-2614

Chowdhuri, Snehasis ; Chandra, Amalendu (2003) Tracer diffusion of ionic and hydrophobic solutes in water-dimethyl sulfoxide mixtures: effects of varying composition Journal of Chemical Physics, 119 (8). pp. 4360-4366. ISSN 1674-0068

Chowdhuri, Snehasis ; Chandra, Amalendu (2002) Hydrogen bonds in aqueous electrolyte solutions: statistics and dynamics based on both geometric and energetic criteria Physical Review letters, 66 (4). 041203_1-041203_7. ISSN 0031-9007

Chandra, Amalendu ; Chowdhuri, Snehasis (2001) Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water Proceedings of the Indian Academy of Sciences - Chemical Sciences, 113 (5-6). pp. 591-601. ISSN 0253-4134

Chowdhuri, Snehasis ; Chandra, Amalendu (2001) Molecular dynamics simulations of aqueous NaCl and KCl solutions: effects of ion concentration on the single-particle, pair, and collective dynamical properties of of ions and water molecules Journal of Chemical Physics, 115 (8). pp. 3732-3741. ISSN 1674-0068

Senapati, Sanjib ; Chandra, Amalendu (2001) Dielectric constant of water confined in nanocavity Journal of Physical Chemistry B, 105 (22). pp. 5106-5109. ISSN 1089-5647

Senapati, Sanjib ; Chandra, Amalendu (2000) Surface charge induced modifications of the structure and dynamics of mixed dipolar liquids at solid-liquid interfaces: a molecular dynamics simulation study Journal of Chemical Physics, 113 (19). pp. 8817-8826. ISSN 1674-0068

Chandra, Amalendu ; Bagchi, Biman (2000) Beyond the classical transport laws of electrochemistry: new microscopic approach to ionic conductance and viscosity Journal of Physical Chemistry B, 104 (39). pp. 9067-9080. ISSN 1089-5647

Chandra, Amalendu ; Bagchi, Biman (2000) Ionic contribution to the viscosity of dilute electrolyte solutions: towards a microscopic theory Journal of Chemical Physics, 113 (8). pp. 3226-3232. ISSN 0021-9606

Chandra, Amalendu (2000) Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions Physical Review Letters, 85 (4). pp. 768-771. ISSN 0031-9007

Chandra, Amalendu (2000) Static dielectric constant of aqueous electrolyte solutions: is there any dynamic contribution? Journal of Chemical Physics, 113 (3). pp. 903-905. ISSN 0021-9606

Senapati, Sanjib ; Chandra, Amalendu (2000) Interfacial structure of a mixed dipolar liquid in contact with a charged solid surface Journal of Chemical Physics, 112 (23). pp. 10467-10475. ISSN 1674-0068

Chandra, Amalendu ; Bagchi, Biman (2000) Frequency dependence of ionic conductivity of electrolyte solutions Journal of Chemical Physics, 112 (4). pp. 1876-1886. ISSN 0021-9606

Senapati, Sanjib ; Chandra, Amalendu (2000) Structure of a mixed dipolar liquid near a metal surface: a combined approach of weighted density and perturbative approximations Physical Review Letters, 62 (1). pp. 1017-1024. ISSN 0031-9007

Chandra, Amalendu ; Ichiye, Toshiko (1999) Dynamical properties of the soft sticky dipole model of water: molecular dynamics simulations Journal of Chemical Physics, 111 (6). pp. 2701-2709. ISSN 1674-0068

Senapati, Sanjib ; Chandra, Amalendu (1999) Molecular dynamics simulations of simple dipolar liquids in spherical cavity: effects of confinement on structural, dielectric, and dynamical properties Journal of Chemical Physics, 111 (3). pp. 1223-1230. ISSN 1674-0068

Chandra, Amalendu ; Bagchi, Biman (1999) Ion conductance in electrolyte solutions Journal of Chemical Physics, 110 (20). pp. 10024-10034. ISSN 0021-9606

Chandra, Amalendu ; Biswas, Ranjit ; Bagchi, Biman (1999) Molecular origin of the Debye-Huckel-Onsager limiting law of ion conductance and its extension to high concentrations: mode coupling theory approach to electrolyte friction Journal of the American Chemical Society, 121 (16). pp. 4082-4083. ISSN 0002-7863

Senapati, Sanjib ; Chandra, Amalendu (1999) Structure and dynamics of mixed dipolar liquids near solid surfaces: a molecular dynamics simulation study Chemical Physics, 242 (3). pp. 353-366. ISSN 0301-0104

Senapati, Sanjib ; Chandra, Amalendu (1999) Nonlinear theory of metal-solvent interface using the density functional approach Physical Review Letters, 59 (3). pp. 3140-3146. ISSN 0031-9007

Chandra, Amalendu (1999) A theoretical study of outersphere electron transfer reactions in electrolyte solutions Journal of Chemical Physics, 110 (3). pp. 1569-1580. ISSN 1674-0068

Senapati, Sanjib ; Chandra, Amalendu (1998) Computer simulations of dipolar liquids near charged solid surfaces: electric-field-induced modifications of structure and dynamics of interfacial solvent Journal of Molecular Structure: Theochem, 455 (1). pp. 1-8. ISSN 0166-1280

Chandra, Amalendu (1998) Solvent effects on outersphere electron transfer reactions in mixed dipolar liquids Chemical Physics, 238 (2). pp. 285-300. ISSN 0301-0104

Chandra, Amalendu ; Senapati, Sanjib (1998) Rotational dielectric friction and molecular relaxation at metal-solvent interfaces Journal of Molecular Liquids, 77 (1-3). pp. 77-93. ISSN 0167-7322

Senapati, Sanjib ; Chandra, Amalendu (1998) Molecular relaxation in simple dipolar liquids confined between two solid surfaces Chemical Physics, 231 (1). pp. 65-80. ISSN 0301-0104

Chandra, Amalendu (1998) Dynamics of electrical double layer formation at a charged solid surface Journal of Molecular Structure: Theochem, 430 (1). pp. 105-111. ISSN 0166-1280

Chandra, Amalendu (1998) Effects of ion atmosphere relaxation on dipole isomerization reactions in electrolyte solutions Journal of Molecular Structure: THEOCHEM, 422 (1-3). pp. 49-55. ISSN 0166-1280

Chandra, Amalendu (1996) Dynamics of ion atmosphere relaxation around a newly created dipolar solute Chemical Physics, 208 (1). pp. 1-7. ISSN 0301-0104

Chandra, Amalendu (1996) Electron transfer reactions in electrolyte solutions: effects of ion atmosphere and solvent relaxation Chemical Physics Letters, 253 (5-6). pp. 456-462. ISSN 0009-2614

Chandra, Amalendu (1996) Electrolyte dynamics effect on adiabatic outersphere electron transfer reactions Journal of Molecular Structure: Theochem, 361 (1-3). pp. 123-134. ISSN 0166-1280

Chandra, Amalendu (1995) Dielectric relaxation of binary dipolar liquids Chemical Physics, 195 (1-3). pp. 93-105. ISSN 0301-0104

Chandra, Amalendu (1995) Ion solvation dynamics in binary dipolar liquids: theoretical and simulation results for mixtures of Stockmayer liquids Chemical Physics Letters, 235 (1-2). pp. 133-139. ISSN 0009-2614

Chandra, A. ; Bagchi, B. (1993) Microscopic theory of solvation of an ion in a binary dipolar liquid Journal of Molecular Liquids, 57 (1). pp. 39-51. ISSN 0167-7322

Bagchi, B. ; Chandra, A. (1993) Molecular theory of underdamped dielectric relaxation: understanding collective effects in dipolar liquids Chemical Physics, 173 (2). pp. 133-141. ISSN 0301-0104

Chandra, Amalendu ; Bagchi, Biman (1993) Microscopic study of inertial and viscoelastic effects in dipolar solvation dynamics Journal of Chemical Physics, 99 (1). pp. 553-562. ISSN 0021-9606

Chandra, A. ; Bagchi, B. (1992) Dynamics of solvation of an ion in a dense dipolar liquid Proceedings of the Indian Academy of Sciences - Chemical Sciences, 104 (6). pp. 675-679. ISSN 0253-4134

Chandra, A. ; Bagchi, B. (1992) Molecular interpretation of the linear relationship between the entropy and the enthalpy of activation of charge transfer reactions in polar liquids Proceedings of the Indian Academy of Sciences - Chemical Sciences, 104 (3). pp. 399-407. ISSN 0253-4134

Bagchi, B. ; Chandra, A. (1992) Ultrafast solvation dynamics: molecular explanation of computer simulation results in a simple dipolar solvent Journal of Chemical Physics, 97 (7). pp. 5126-5131. ISSN 0021-9606

Chandra, A. ; Bagchi, B. (1991) Effects of solvent viscoelasticity in the solvation dynamics of an ion in a dense dipolar liquid Chemical Physics, 156 (3). pp. 323-338. ISSN 0301-0104

Chandra, A. ; Bagchi, B. (1991) Molecular theory of dielectric relaxation in a dense binary dipolar liquid Journal of Physical Chemistry, 95 (6). pp. 2529-2535. ISSN 0022-3654

Chandra, A. ; Bagchi, B. (1991) Relaxation dominated by inertia: solvation dynamics of a small ion in a dipolar solvent Proceedings of the Indian Academy of Sciences - Chemical Sciences, 103 (1). pp. 77-82. ISSN 0253-4134

Bagchi, B. ; Chandra, A. (1991) Dielectric relaxation in dipolar liquids International Journal of Modern Physics B, 5 (3). pp. 461-480. ISSN 0217-9792

Chandra, A. ; Bagchi, B. (1991) Inertial effects in solvation dynamics Journal of Chemical Physics, 94 (4). pp. 3177-3182. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1991) Microscopic free energy functional for polarization fluctuations: generalization of Marcus-Felderhof expression Journal of Chemical Physics, 94 (3). pp. 2258-2261. ISSN 0021-9606

Chandra, A. ; Bagchi, B. (1991) Molecular theory of solvation and solvation dynamics in a binary dipolar liquid Journal of Chemical Physics, 94 (12). pp. 8367-8377. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1990) Collective orientational relaxation in a dense liquid of ellipsoidal molecules Physica A: Statistical Mechanics and Its Applications, 169 (2). pp. 246-262. ISSN 0378-4371

Bagchi, B. ; Chandra, A. ; Fleming, G. R. (1990) Dynamic solvent effects in adiabatic electron-transfer reactions: role of translational modes Journal of Physical Chemistry, 94 (13). pp. 5197-5200. ISSN 0022-3654

Chandra, Amalendu ; Bagchi, Biman (1990) Relationship between microscopic and macroscopic orientational relaxation times in polar liquids Journal of Physical Chemistry, 94 (7). pp. 3152-3156. ISSN 0022-3654

Chandra, Amalendu ; Bagchi, Biman (1990) Effects of molecular size in solvation dynamics Journal of Physical Chemistry, 94 (5). pp. 1874-1876. ISSN 0022-3654

Bagchi, B. ; Chandra, A. (1990) Dielectric relaxation in dipolar liquids: route to Debye behavior via translational diffusion Physical Review Letters, 64 (4). pp. 455-458. ISSN 0031-9007

Chandra, Amalendu ; Bagchi, Biman (1990) Relationship between energy gap time correlation and fluorescence stokes shift correlation functions in solvation dynamics Chemical Physics Letters, 165 (1). pp. 93-99. ISSN 0009-2614

Chandra, A. ; Bagchi, B. (1990) Collective excitations in a dense dipolar liquid: how important are dipolarons in the polarization relaxation of common dipolar liquids? Journal of Chemical Physics, 92 (11). pp. 6833-6839. ISSN 0021-9606

Bagchi, B. ; Chandra, A. (1990) Macro-micro relations in dipolar orientational relaxation: an exactly solvable model of dielectric relaxation Journal of Chemical Physics, 93 (33). pp. 1955-1958. ISSN 0021-9606

Bagchi, Biman ; Chandra, Amalendu ; Rice, Stuart A. (1990) An interpretation of the bifurcation of orientational relaxation processes in a supercooled liquid Journal of Chemical Physics, 93 (12). pp. 8991-9001. ISSN 0021-9606

Vijayadamodar, G. V. ; Chandra, A. ; Bagchi, B. (1989) Effects of translational diffusion on dielectric friction in a dipolar liquid Chemical Physics Letters, 161 (4-5). pp. 413-419. ISSN 0009-2614

Chandra, Amalendu ; Bagchi, Biman (1989) Molecular theory of solvation and solvation dynamics of a classical ion in a dipolar liquid Journal of Physical Chemistry, 93 (19). pp. 6996-7003. ISSN 0022-3654

Bagchi, Biman ; Chandra, Amalendu (1989) Solvation of an ion and of a dipole in a dipolar liquid: how different are the dynamics? Chemical Physics Letters, 155 (6). pp. 533-538. ISSN 0009-2614

Chandra, Amalendu ; Bagchi, Biman (1989) Microscopic expression for time-dependent solvation energy of ions and dipoles in dense polar liquids Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101 (1). pp. 83-88. ISSN 0253-4134

Chandra, Amalendu ; Bagchi, Biman (1989) Breakdown of Onsager's conjecture on distance dependent polarization relaxation in solvation dynamics Journal of Chemical Physics, 91 (4). pp. 2594-2598. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1989) Exotic dielectric behavior of polar liquids Journal of Chemical Physics, 91 (5). pp. 3056-3060. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1989) Force constants of solvent polarization fluctuations: softening at intermediate wave vectors Journal of Chemical Physics, 91 (11). pp. 7181-7186. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1989) Microscopic expression for frequency and wave vector dependent dielectric constant of a dipolar liquid Journal of Chemical Physics, 90 (3). pp. 1832-1840. ISSN 0021-9606

Bagchi, Biman ; Chandra, Amalendu (1989) Polarization relaxation, dielectric dispersion, and solvation dynamics in dense dipolar liquid Journal of Chemical Physics, 90 (12). pp. 7338-7345. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1989) A molecular theory of collective orientational relaxation in pure and binary dipolar liquids Journal of Chemical Physics, 91 (3). pp. 1829-1842. ISSN 0021-9606

Chandra, Amalendu ; Bagchi, Biman (1988) The role of translational diffusion in the polarization relaxation in dense polar liquids Chemical Physics Letters, 151 (1-2). pp. 47-53. ISSN 0009-2614

Bagchi, Biman ; Chandra, Amalendu (1988) Dynamics of polar solvation: route to single exponential relaxation via translational diffusion Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (4). pp. 353-357. ISSN 0253-4134

This list was generated on Wed Nov 14 17:50:39 2018 UTC.