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Number of items: 95.

Conference Paper

Padma Kumar, P and Yashonath, S (2006) Ionic conduction in the solid state. In: International Conference on Recent Developments in Metal Oxides and Related Materials, JAN 09-11, 2006, Bangalore, INDIA.

Bandyopadhay, S and Yashonath, S and Subramanian, TC and Periasamy, M (1994) The chips - a data parallel computer for analysis of molecular dynamics trajectories. In: 3rd IUMRS International Conference on Advanced Materials (ICAM), AUG 31-SEP 04, 1993, SUNSHINE CITY, JAPAN.

Journal Article

Kaur, Ramanpreet and Perumal, SSRR and Bhattacharyya, Aninda J and Yashonath, S and Row, Guru TN (2014) Structural Insights into Proton Conduction in Gallic Acid-Isoniazid Cocrystals. In: CRYSTAL GROWTH & DESIGN, 14 (2). pp. 423-426.

Kumar, Parveen and Varanasi, Srinivasa R and Yashonath, S (2013) Relation Between the Diffusivity, Viscosity, and Ionic Radius of LiCl in Water, Methanol, and Ethylene Glycol: A Molecular Dynamics Simulation. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (27). pp. 8196-8208.

Borah, Bhaskar J and Maiti, Prabal K and Chakravarty, Charusita and Yashonath, S (2012) Transport in nanoporous zeolites: Relationships between sorbate size, entropy, and diffusivity. In: JOURNAL OF CHEMICAL PHYSICS, 136 (17). 174510-1-174510-8.

Varanasi, Srinivasa R and Kumar, Parveen and Yashonath, S (2012) Dependence of diffusivity on density and solute diameter in liquid phase: A molecular dynamics study of Lennard-Jones system. In: Journal of Chemical Physics, The, 136 (14).

Varanasi, Srinivasa R and Yashonath, S (2012) Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study. In: Journal of Chemical Sciences, 124 (1, SI). pp. 159-166.

Varanasi, Srinivasa R and Kumar, Parveen and Masia, Marco and Demontis, P and Suffritti, GB and Yashonath, S (2011) A molecular dynamics study and molecular level explanation of pressure dependence of ionic conductivity of potassium chloride in water. In: PCCP: Physical Chemistry Chemical Physics, 13 (23). pp. 10877-10884.

Borah, Bhaskar J and Yashonath, S (2010) Ions in water: Role of attractive interactions in size dependent diffusivity maximum. In: Journal of Chemical Physics, The, 133 (11).

Borah, Bhaskar J and Jobic, H and Yashonath, S (2010) Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY. In: Journal of Chemical Physics, 132 (14). pp. 144507-1.

Deroche, I and Maurin, G and Borah, BJ and Yashonath, S and Jobic, H (2010) Diffusion of Pure CH4 and Its Binary Mixture with CO2 in Faujasite NaY: A Combination of Neutron Scattering Experiments and Molecular Dynamics Simulations. In: Journal Of Physical Chemistry C, 114 (11). pp. 5027-5034.

Varanasi, Srinivasa Rao and Kumar, Prakash and Puranik, Vijayalakshmi Ravi and Umarji, Arun and Yashonath, S (2009) Structure, energetics and diffusion properties of isomers of trimethyl benzene in beta zeolite: Uptake and Monte Carlo simulation study. In: Microporous and Mesoporous Materials, 125 (1-2, S). pp. 135-142.

Pazzona, FG and Borah, BJ and Demontis, P and Suffritti, GB and Yashonath, S (2009) A comparative molecular dynamics study of diffusion of n-decane and 3-methyl pentane in Y zeolite. In: Journal of chemical sciences, 121 (5). pp. 921-927.

Sharma, Manju and Yashonath, S (2009) How does contrasting dependence of impurity-atom diffusivity on the density of host disordered medium arise? In: Indian Journal Of Physics, 83 (1). pp. 31-47.

Demontis, P and Suffritti, GB and Yashonath, S (2008) Comment on ``High-Accuracy Estimation of `Slow' Molecular Diffusion Rates in Zeolite Nanopores, Based on Free Energy Calculations at an Ultrahigh Temperature''. In: Journal of Physical Chemistry C, 112 (43). pp. 17030-17031.

Sharma, Manju and Yashonath, S (2008) Correlation between conductivity or diffusivity and activation energy in amorphous solids. In: Journal of Chemical Physics, 129 (14).

Yashonath, S and Ghorai, Pradip Kr (2007) Diffusion in nanoporous phases: Size dependence and levitation effect. In: Journal of Physical Chemistry B, 112 (3). pp. 665-686.

Gautam, S and Mitra, S and Sayeed, A and Yashonath, S and Chaplot, SL and Mukhopadhyay, R (2007) Diffusion of 1,3-butadiene adsorbed in Na–Y zeolite: Neutron scattering study. In: Chemical Physics Letters, 442 (4-6). pp. 311-315.

Mitra, S and Gautam, Siddharth and Mukhopadhyay, R and Sumitra, S and Umarji, AM and Yashonath, S and Chaplot, SL (2006) Diffusion of acetylene embedded in Na–Y zeolite: QENS and MD simulation studies. In: Physica B, 385-38 (Part 1). pp. 275-278.

Sharma, Manju and Yashonath, S (2006) Breakdown of the Stokes-Einstein Relationship:Role of Interactions in the Size Dependence of Self-Diffusivity. In: Journal of Physical Chemistry B, 110 (34). pp. 17207-17211.

Ghorai, Pradip K and Yashonath, S (2006) Existence of a Size-Dependent Diffusivity Maximum for Uncharged Solutes in Water and Its Implications. In: Journal Of Physical Chemistry B, 110 (24). pp. 12072-12079.

Ghorai, Pradip Kr and Sluiter, Marcel and Yashonath, S and Kawazoe, Y (2006) Intermolecular potential for methane in zeolite A and Y: Adsorption isotherm and related properties. In: Solid State Sciences, 8 (3-4). pp. 248-258.

Kumar, Anil AV and Yashonath, S and Ananthakrishna, G (2006) Separation of mixtures at nano length scales: Blow torch and levitation effect. In: Journal Of Physical Chemistry B, 110 (8). pp. 3835-3840.

Kamala, CR and Ayappa, KG and Yashonath, S (2005) Large Distinct Diffusivity in Binary Mixtures Confined to Zeolite NaY. In: The Journal of Physical Chemistry B, 109 (47). pp. 22092-22095.

Ghorai, Pradip K and Kumar, Anil AV and Sastry, Srikanth and Yashonath, S (2005) Diffusion maximum as a function of size in dense liquids. In: Physical Review E, 72 (3).

Murugan, Arul N and Rao, RS and Yashonath, S and Ramasesha, S and Godwal, BK (2005) High-Pressure Study of Adamantane: Variable Shape Simulations up to 26 GPa. In: Journal of Physical Chemistry B, 109 (36). pp. 17293-17303.

Murugan, Arul N and Yashonath, S (2005) Effect of Pressure on Pedal Motion in Stilbene Molecular Crystals and Its Dependence on the Crystallographic Site. In: Journal of Physical Chemistry B, 109 (24). pp. 12107-12114.

Sharma, Manju and Bhide, SY and Yashonath, S (2005) Levitation effect: Size-dependent maximum in rotational diffusion in confined systems. In: Journal of Chemical Physics, 122 . 144505/1-5.

Ghorai, Pradip Kr and Yashonath, S and Bell, Lynden RM (2005) Size-Dependent Maximum in Ion Conductivity: The Levitation Effect Provides an Alternative Explanation. In: Journal of Physical Chemistry B, 109 (16). pp. 8120-8124.

Ghorai, Pradip Kr and Yashonath, S (2005) Levitation Effect: Distinguishing Anomalous from Linear Regime of Guests Sorbed in Zeolites through the Decay of Intermediate Scattering Function and Wavevector Dependence of Self-Diffusivity. In: Journal of Physical Chemistry B, 109 (9). pp. 3979-3983.

Ghorai, Pradip Kr and Yashonath, S (2005) The Stokes-Einstein Relationship and the Levitation Effect: Size-Dependent Diffusion Maximum in Dense Fluids and Close-Packed Disordered Solids. In: Journal of Physical Chemistry B, 109 (12). pp. 5824-5835.

Murugan, Arul N and Yashonath, S (2005) Pressure Induced Orientational Ordering in \rho -Terphenyl. In: Journal of Physical Chemistry B, 109 (4). pp. 1433-1440.

Murugan, Arul N and Yashonath, S (2005) Pressure-Induced Ordering in Adamantane: A Monte Carlo Simulation Study. In: Journal of Physical Chemistry B, 109 (5). pp. 2014-2020.

Ghorai, Pradip Kr and Yashonath, S (2005) Classification of the third regime in the size dependence of self diffusivity in levitation effect. In: Chemical Physics Letters, 402 (1-3). pp. 222-226.

Murugan, Arul N and Yashonath, S (2004) Structure, Energetics, and Dynamics of Pedal-Like Motion in Stilbene from Molecular Simulation and ab Initio Calculations. In: Journal of Physical Chemistry B, 108 (45). pp. 17403-17411.

Bhide, Shreyas Y and Ghosh, Debashree and Yashonath, S and Ananthakrishna, G (2004) Sorbates in carbon nanotubes: Transition from diffusive to superdiffusive motion. In: Current Science, 87 (7). pp. 971-975.

Mitra, S and Sumitra, S and Umarji, AM and Mukhopadhyay, R and Yashonath, S and Chaplot, SL (2004) Acetylene diffusion in Na-Y zeolite. In: Pramana Journal of Physics, 63 (2). pp. 449-453.

Bhide, Shreyas Y and Yashonath, S (2004) Anomalous diffusion of linear and branched pentanes within zeolite NaY. In: Molecular Physics, 102 (9 & 10). pp. 1057-1066.

Kamala, CR and Ayappa, KG and Yashonath, S (2004) Distinct Diffusion in Binary Mixtures Confined in Slit Graphite Pores. In: Journal of Physical Chemistry B, 108 (14). pp. 4411-4421.

Murugan, Arul N and Chandra, Prakash Jha and Yashonath, S and Ramasesha, S (2004) High Pressure Phase of Biphenyl at Room Temperature: A Monte Carlo Study. In: Journal of Physical Chemistry B, 108 (13). pp. 4178-4184.

Ghorai, Pradip Kr and Yashonath, S (2004) Translational and rotational diffusion of SF6 in zeolite NaY. In: Journal of Chemical Physics, 120 (11). pp. 5315-5321.

Mukhopadhyay, R and Sayeed, A and Rao, Mala N and Anilkumar, AV and Mitra, S and Yashonath, S and Chaplot, SL (2003) Rotation of propane molecules in supercages of Na-Y zeolite. In: Chemical Physics, 292 (2-3). pp. 217-222.

Kumar, Anil AV and Yashonath, S and Ananthakrishna, G (2003) Influence of temperature inhomogeneity on product profile of reactions occurring within zeolites. In: Journal of Chemical Sciences, 115 (5-6). pp. 543-552.

Shreyas, Y and Bhide, Y and Yashonath, S (2003) n-pentane and Isopentane in One-Dimensional Channels. In: Journal of the American Chemical Society, 125 (24). pp. 7425-7434.

Mitra, S and Mukhopadhyay, R and Sayeed, A and Yashonath, S and Chaplot, SL (2002) Dynamics of propane in Na-Y zeolite. In: Applied Physics, 74 (1). s1317-s1319.

Mukhopadhyay, R and Sayeed, Ahmed and Mitra, S and Kumar, Anil AV and Rao, Mala N and Yashonath, S and Chaplot, SL (2002) Rotational dynamics of propane in Na-Y zeolite: A molecular dynamics and quasielastic neutron-scattering study. In: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 66 (6). 61201-1-8.

Bhide, Shreyas Y and Yashonath, S (2002) Study of translational and rotational mobility and orientational preference of ethane in one-dimensional channels. In: Journal of Physical Chemistry A, The, 106 (38). pp. 7130-7137.

Ghorai, Pradip KR and Yashonath, S and Lynden-Bell, RM (2002) Estimation of slow diffusion rates in confined systems: $CCl_4$ in zeolite NaA. In: Molecular Physics, 100 (5). pp. 641-647.

Kamala, CR and Ayappa, KG and Yashonath, S (2002) Mutual diffusion in a binary Ar-Kr mixture confined within zeolite NaY. In: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 65 (5). 061202/1-12.

Kumar, Padma P and Yashonath, S (2002) Ion Mobility and Levitation Effect: Anomalous Diffusion in Nasicon-Type Structure. In: Journal of Physical Chemistry B, 106 (13). pp. 3343-3348.

Kumar, Anil AV and Yashonath, S and Ananthakrishna, G (2002) Source of Reaction-Diffusion Coupling in Confined Systems due to Temperature Inhomogeneities. In: Physical Review Letters, 88 (12). 120601/1-4.

Bhide, Shreyas Y and Yashonath, S (2002) Orientational preference and influence of rotation on methane mobility in one-dimensional channels. In: Journal of Chemical Physics, 116 (5). pp. 2175-2183.

Sayeed, Ahmed and Mitra, S and Kumar, Anil AV and Mukhopadhyay, R and Yashonath, S and Chaplot, SL (2002) Diffusion of Propane in Zeolite NaY: A Molecular Dynamics and Quasi-Elastic Neutron Scattering Study. In: Journal of Physical Chemistry B, 107 (2). pp. 527-533.

Kumar, Anil AV and Yashonath, S and Sluiter, Marcel and Kawazoe, Yoshiyuki (2002) Rotational motion of methane within the confines of zeolite NaCa A: Molecular dynamics and ab initio calculations. In: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 65 (1). 011203/1-6.

Bhide, SY and Kumar, Anil VA and Yashonath, S (2001) Diffusion of hydrocarbons in confined media: Translational and rotational motion. In: Proceedings of the Indian Academy of Sciences Chemical Sciences, 113 (5). pp. 559-577.

Kumar, Padma P and Yashonath, S (2001) Lithium Ion Motion in LiZr2(PO4)3. In: Journal of Physical Chemistry B, 105 (29). pp. 6785-6791.

Chitra, R and Kumar, Anil AV and Yashonath, S (2001) Translational–orientational coupling during passage of methane through the bottleneck in zeolite A. In: Journal of Chemical Physics, 114 (1). pp. 11-14.

Bhide, Shreyas Y and Yashonath, S (2000) Structure and dynamics of benzene in one-dimensional channels. In: Journal of Physical Chemistry B, 104 (50). pp. 11977-11986.

Kumar, Anil AV and Yashonath, S and Chaplot, SL (2000) A study of the condensed phases and solid-solid phase transition in toluene: A Monte Carlo investigation. In: Journal of Chemical Physics, 113 (18). pp. 8070-8079.

Bhide, Shreyas Y and Yashonath, S (2000) Types of Dependence of Self-Diffusivity on Sorbate Concentration in Parameter Space: A Two-Dimensional Lattice Gas Study. In: Journal of Physical Chemistry B, 104 (12). pp. 2607-2612.

Bhide, Shreyas Y and Yashonath, S (1999) Dependence of the self-diffusion coefficient on the sorbate concentration: A two-dimensional lattice gas model with and without confinement. In: Journal of Chemical Physics, 111 (4). pp. 1658-1667.

Chitra, R and Yashonath, S (1997) Estimation of error in the diffusion coefficient from molecular dynamics simulations. In: Journal of Physical Chemistry B, 101 (27). pp. 5437-5445.

Chitra, R and Yashonath, S (1997) Effect of confinement in the alpha-cages of zeolite NaCaA on the properties of Ar-13 cluster: A Monte Carlo study. In: Proceedings Of The Indian Academy Of Sciences-Chemical Sciences, 109 (3). pp. 189-202.

Chitra, R and Yashonath, S (1997) Inverse surface melting in confined clusters: Ar-13 in zeolite L. In: Journal of Physical Chemistry B, The, 101 (3). pp. 389-395.

Chitra, R and Yashonath, S (1996) Monte Carlo simulation of an argon cluster confined in zeolite $NaCaA^\hspace{3mm}1$. In: Chemical Physics Letters, 252 (5-6). pp. 384-388.

Chitra, R and Yashonath, S (1995) Diffusion behaviour of binary mixtures in restricted regions of zeolite NaY from molecular dynamics calculations. In: Chemical Physics Letters, 234 (1-3). pp. 16-20.

Chakrabarti, A and Yashonath, S and Rao, CNR (1995) A Monte-Carlo Study Of The Condensed Phases Of Biphenyl. In: Molecular Physics, 84 (1). pp. 49-68.

Santikary, P and Yashonath, S (1994) Dynamics of zeolite cage and its effect on the diffusion properties of sorbate: persistence of diffusion anomaly in NaA zeolite. In: Journal of physical chemistry, 98 (37). pp. 9252-9259.

Ghosh, M and Ananthakrishna, G and Yashonath, S and Demontis, P and Suffritti, G (1994) Probing potential energy surfaces in confined systems: behavior of mean-square displacement in zeolites. In: Journal of Physical Chemistry, 98 (37). 9354-9359 .

Yashonath, S and Santikary, P (1994) Diffusion of sorbates in zeolites Y and A novel dependence on sorbate size and strength of sor ba t e-Zeoli t e interaction. In: Journal of physical chemistry, 98 (25). pp. 6368-6376.

Chakrabarti, Aparna and Yashonath, S and Rao, CNR (1994) Comparison of positional disorder in the liquid and glassy states of hydrocarbons: dependence of disorder on molecular shape. In: Molecular Physics, 81 (2). pp. 467-473.

Chakrabarti, Aparna and Yashonath, S and Rao, CNR (1993) Orientational glassy phases of C60 and neopentane. A Monte Carlo study. In: Chemical Physics Letters, 215 (6). pp. 591-595.

Chakrabarti, Aparna and Yashonath, S and Rao, CNR (1993) Role of molecular reorientation in the vitrification of molecular liquids: A Monte Carlo study of the liquid and glassy states of 2,2-dimethylbutane. In: Journal of Molecular Liquids, 57 . pp. 177-193.

Yashonath, S and Santikary, Prakriteswar (1992) Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior. In: Physical Review B: Condensed Matter and Materials Physics, 45 (17). pp. 10095-10098.

Santikary, P and Yashonath, S and Rao, CNR (1992) Molecular dynamics simulation of clathrates: noble gases in the cages of $\beta$-hydroquinone. In: Chemical Physics Letters, 192 (4). pp. 390-394.

Yashonath, S and Rao, CNR (1991) Structure and dynamics of polar liquids:a molecular dynamics investigation of N,N-dimethyl formamide. In: Chemical Physics, 155 (3). pp. 351-356.

Yashonath, S (1991) Adsorption of xenon in zeolite Y: a molecular dynamics study. In: Chemical Physics Letters, 177 (1). pp. 54-58.

Rao, CNR and Yashonath, S (1987) Computer Simulation of Transformations in Solids. In: Journal of Solid State Chemistry, 68 (2). pp. 193-213.

Yashonath, S and Rao, CNR (1986) Structural Changes Accompanying the Formation of Isopentane Glass. In: Journal of Physical Chemistry, 90 (12). 2581 -2584.

Yashonath, S and Rao, CNR (1986) An investigation of solid adamantane by a modified isothermal-isobaric ensemble Monte Carlo simulation. In: Journal of Physical Chemistry, 90 (12). 2552 -2554.

Yashonath, S and Rao, CNR (1985) Monte Carlo Simulation of the Crystal to Plastic Crystal Transition in Carbon Tetrachloride. In: Chemical Physics Letters, 119 (1). pp. 22-28.

Yashonath, S and Rao, CNR (1985) Monte Carlo Simulation of Isopentane Glass. In: Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences, 400 (1818). pp. 61-73.

Yashonath, S and Rao, CNR (1985) A Monte Carlo study of crystal structure transformations. In: Molecular Physics, 54 (1). pp. 245-251.

Yashonath, S and Rao, KJ and Rao, CNR (1985) Glass-Transition In Isopentane - A Monte-Carlo Study. In: Physical Review B, 31 (5). pp. 3196-3198.

Yashonath, S and Sarma, DD (1984) Mean-field results of a lattice-gas model of multilayer adsorption. In: Chemical Physics Letters, 110 (3). pp. 265-269.

Yashonath, S and Rao, CNR (1983) Plastic and Glassy Crystalline States of Methane: A Monte Carlo Simulation Study. In: Chemical Physics Letters, 101 (6). pp. 524-527.

Yashonath, S and Sen, P and Hedge, MS and Rao, CNR (1983) Metal Auger Intensity Ratios in Transition Metals and Their Compounds. In: Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 79 (P5). 1229 -1236.

Yashonath, S and Krishnamurthy, Bani and Ramasesha, S and Rao, CNR (1982) Monte Carlo simulation of mictomagnets. In: Zeitschrift für Physik B: Condensed Matter, 46 (4). pp. 341-346.

Rao, CNR and Kamath, P Vishnu and Yashonath, S (1982) Molecularly adsorbed oxygen on metals: electron spectroscopic studies. In: Chemical Physics Letters, 88 (1). pp. 13-16.

Rao, CNR and Kamath, P Vishnu and Yashonath, S (1982) Molecularly adsorbed oxygen on metals: electron spectroscopic studies. In: Chemical Physics Letters, 88 (1). pp. 13-16.

Yashonath, S and Srinivasan, A and Hedge, MS and Rao, CNR and Basu, PK (1982) Photo-Electron Spectroscopic Studies Of The Adsorption Of Organic-Molecules With Lone Pair Orbitals On Transition-Metal Surfaces. In: Journal of Chemical Sciences, 91 (2). pp. 101-128.

Yashonath, S and Hegde, MS and Sarode, PR and Rao, CNR and Umarji, AM and Subba Rao, GV (1981) Charge transfer in Chevrel phases. In: Solid State Communications, 37 (4). pp. 325-327.

Yashonath, S (1981) Relaxation Time of Chemical Reactions from Network Thermodynamics. In: Journal of Physical Chemistry, 85 (13). pp. 1808-1810.

Yashonath, S and Hegde, MS (1980) Dependence of metal Auger intensity ratios on the effective charge on metal atoms. In: Journal of Chemical Sciences, 89 (5). pp. 489-494.

Preprint

Bhide, Shreyas Y and Ghosh, Debashree and Yashonath, S and Ananthakrishna, G (2004) Diffusive and Superdiffusive Motion of Sorbates in Carbon Nanotubes. [Preprint]

This list was generated on Wed Jul 23 01:39:20 2014 IST.