| Year |
Citation |
Score |
| 2021 |
Nag S, Maiti PK, Yashonath S. Separating a linear C hydrocarbon from a branched C hydrocarbon: -pentane from 2,2-dimethyl butane using levitation and blow torch effects. Physical Chemistry Chemical Physics : Pccp. PMID 34397066 DOI: 10.1039/d1cp01615f |
0.331 |
|
| 2021 |
Nag S, Sharma M, Yashonath S. Erratum: "Understanding fast diffusion of solutes in solid solutions: A molecular dynamics study of solutes in body centered cubic solid" [J. Chem. Phys. 153, 244503 (2020)]. The Journal of Chemical Physics. 154: 059901. PMID 33557529 DOI: 10.1063/5.0041687 |
0.565 |
|
| 2020 |
Nag S, Sharma M, Yashonath S. Understanding fast diffusion of solutes in solid solutions: A molecular dynamics study of solutes in body centered cubic solid. The Journal of Chemical Physics. 153: 244503. PMID 33380104 DOI: 10.1063/5.0035420 |
0.613 |
|
| 2020 |
Nag S, Ananthakrishna G, Maiti PK, Yashonath S. Separating Hydrocarbon Mixtures by Driving the Components in Opposite Directions: High Degree of Separation Factor and Energy Efficiency. Physical Review Letters. 124: 255901. PMID 32639794 DOI: 10.1103/Physrevlett.124.255901 |
0.402 |
|
| 2019 |
Yashonath S, Santikary P. Dynamics of adsorbates in micropores of zeolites and breakdown of Arrhenius behavior. Physical Review. B, Condensed Matter. 45: 10095-10098. PMID 10000900 DOI: 10.1103/Physrevb.45.10095 |
0.477 |
|
| 2019 |
Kumar P, Yashonath S. Ionic conductivity in aqueous electrolyte solutions: Insights from computer simulations Journal of Molecular Liquids. 277: 506-515. DOI: 10.1016/J.Molliq.2018.12.090 |
0.432 |
|
| 2018 |
Samajdar RN, Manogaran D, Yashonath S, Bhattacharyya AJ. Using porphyrin-amino acid pairs to model the electrochemistry of heme proteins: experimental and theoretical investigations. Physical Chemistry Chemical Physics : Pccp. 20: 10018-10029. PMID 29620109 DOI: 10.1039/C8Cp00605A |
0.736 |
|
| 2017 |
Banerjee P, Yashonath S, Bagchi B. Rotation driven translational diffusion of polyatomic ions in water: A novel mechanism for breakdown of Stokes-Einstein relation. The Journal of Chemical Physics. 146: 164502. PMID 28456210 DOI: 10.1063/1.4981257 |
0.444 |
|
| 2017 |
Mistry S, Yashonath S, Natarajan S. Organization of Copper Azide Clusters into Two-Dimensional Structures: Synthesis, Structure, and Magnetic Properties European Journal of Inorganic Chemistry. 2017: 2173-2183. DOI: 10.1002/Ejic.201601519 |
0.503 |
|
| 2016 |
Banerjee P, Yashonath S, Bagchi B. Coupled jump rotational dynamics in aqueous nitrate solutions. The Journal of Chemical Physics. 145: 234502. PMID 27984871 DOI: 10.1063/1.4971864 |
0.415 |
|
| 2016 |
Kumar P, Bharadwaj MD, Yashonath S. Effect of interionic interactions on the structure and dynamics of ionic solvation shells in aqueous electrolyte solutions Rsc Advances. 6: 114666-114675. DOI: 10.1039/C6Ra26819F |
0.433 |
|
| 2015 |
Kumar P, Kulkarni AD, Yashonath S. Influence of a Counterion on the Ion Atmosphere of an Anion: A Molecular Dynamics Study of LiX and CsX (X = F(-), Cl(-), I(-)) in Methanol. The Journal of Physical Chemistry. B. PMID 25961808 DOI: 10.1021/Acs.Jpcb.5B00481 |
0.432 |
|
| 2015 |
Roy S, Yashonath S, Bagchi B. Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics. The Journal of Chemical Physics. 142: 124502. PMID 25833591 DOI: 10.1063/1.4915274 |
0.485 |
|
| 2015 |
Varanasi SR, Yashonath S. Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: A molecular dynamics simulation study Molecular Simulation. 41: 423-431. DOI: 10.1080/08927022.2014.942660 |
0.535 |
|
| 2014 |
Kaur R, Perumal SSRR, Bhattacharyya AJ, Yashonath S, Guru Row TN. Structural insights into proton conduction in gallic acid-isoniazid cocrystals Crystal Growth and Design. 14: 423-426. DOI: 10.1021/Cg4018807 |
0.368 |
|
| 2013 |
Kumar P, Varanasi SR, Yashonath S. Relation between the diffusivity, viscosity, and ionic radius of LiCl in water, methanol, and ethylene glycol: a molecular dynamics simulation. The Journal of Physical Chemistry. B. 117: 8196-208. PMID 23800019 DOI: 10.1021/Jp4036919 |
0.49 |
|
| 2013 |
Kumar P, Varanasi SR, Yashonath S. Relation between the diffusivity, viscosity, and ionic radius of LiCl in water, methanol, and ethylene glycol: A molecular dynamics simulation Journal of Physical Chemistry B. 117: 8196-8208. DOI: 10.1021/jp4036919 |
0.408 |
|
| 2012 |
Borah BJ, Maiti PK, Chakravarty C, Yashonath S. Transport in nanoporous zeolites: relationships between sorbate size, entropy, and diffusivity. The Journal of Chemical Physics. 136: 174510. PMID 22583252 DOI: 10.1063/1.4706520 |
0.535 |
|
| 2012 |
Varanasi SR, Kumar P, Yashonath S. Dependence of diffusivity on density and solute diameter in liquid phase: a molecular dynamics study of Lennard-Jones system. The Journal of Chemical Physics. 136: 144505. PMID 22502531 DOI: 10.1063/1.3701619 |
0.489 |
|
| 2012 |
Varanasi SR, Kumar P, Yashonath S. Dependence of diffusivity on density and solute diameter in liquid phase: A molecular dynamics study of Lennard-Jones system Journal of Chemical Physics. 136. DOI: 10.1063/1.3701619 |
0.407 |
|
| 2012 |
VARANASI SR, YASHONATH S. Variation of diffusivity with the cation radii in molten salts of superionic conductors containing iodine anion: A molecular dynamics study Journal of Chemical Sciences. 124: 159-166. DOI: 10.1007/S12039-011-0203-3 |
0.53 |
|
| 2011 |
Sharma M, Yashonath S. Levitation effect: role of symmetry and dependence of diffusivity on the bond length of homonuclear and heteronuclear diatomic species. The Journal of Physical Chemistry. B. 115: 3514-21. PMID 21401037 DOI: 10.1021/Jp1096663 |
0.663 |
|
| 2011 |
Borah BJ, Yashonath S. Ions in water: role of attractive interactions in size dependent diffusivity maximum. The Journal of Chemical Physics. 133: 114504. PMID 20866142 DOI: 10.1063/1.3481656 |
0.472 |
|
| 2011 |
Krishna C, Yashonath S, Schüring A, Fritzsche S, Kärger J. Influence of the methane-zeolite a interaction potential on the concentration dependence of self-diffusivity Adsorption Science and Technology. 29: 553-567. DOI: 10.1260/0263-6174.29.6.553 |
0.52 |
|
| 2011 |
Varanasi SR, Kumar P, Masia M, Demontis P, Suffritti GB, Yashonath S. A molecular dynamics study and molecular level explanation of pressure dependence of ionic conductivity of potassium chloride in water Physical Chemistry Chemical Physics. 13: 10877-10884. DOI: 10.1039/C1Cp00026H |
0.417 |
|
| 2010 |
Borah BJ, Jobic H, Yashonath S. Levitation effect in zeolites: Quasielastic neutron scattering and molecular dynamics study of pentane isomers in zeolite NaY. The Journal of Chemical Physics. 132: 144507. PMID 20406001 DOI: 10.1063/1.3367894 |
0.514 |
|
| 2010 |
Déroche I, Maurin G, Borah BJ, Yashonath S, Jobic H. Diffusion of Pure CH4 and Its Binary Mixture with CO2 in Faujasite NaY: A Combination of Neutron Scattering Experiments and Molecular Dynamics Simulations The Journal of Physical Chemistry C. 114: 5027-5034. DOI: 10.1021/Jp910863Z |
0.497 |
|
| 2010 |
RAO CNR, RAO KJ, RAMASESHA S, SARMA DD, YASHONATH S. ChemInform Abstract: Physical Chemistry of Solids Cheminform. 25: no-no. DOI: 10.1002/chin.199437311 |
0.47 |
|
| 2010 |
YASHONATH S, SANTIKARY P. ChemInform Abstract: Xenon in Sodium Y Zeolite. Part 2. Arrhenius Relation, Mechanism, and Barrier Height Distribution for Cage-to-Cage Diffusion Cheminform. 24: no-no. DOI: 10.1002/CHIN.199329278 |
0.395 |
|
| 2010 |
CHAKRABARTI A, YASHONATH S, RAO CNR. ChemInform Abstract: Importance of Orientational Rearrangement During Vitrification of Hydrocarbons: Dependence on Molecular Shape. Cheminform. 23: no-no. DOI: 10.1002/CHIN.199247043 |
0.304 |
|
| 2009 |
Jobic H, Borah BJ, Yashonath S. Neutron scattering and molecular dynamics evidence for levitation effect in nanopores. The Journal of Physical Chemistry. B. 113: 12635-8. PMID 19715351 DOI: 10.1021/Jp907453A |
0.519 |
|
| 2009 |
Sharma M, Yashonath S. Correlation between conductivity or diffusivity and activation energy in amorphous solids. The Journal of Chemical Physics. 129: 144103. PMID 19045130 DOI: 10.1063/1.2990744 |
0.675 |
|
| 2009 |
Krishna C, Yashonath S. Dependence of self-diffusivity on size of impurity atoms in a face-centred cubic solid: existence of an anomalous maximum Molecular Simulation. 35: 151-161. DOI: 10.1080/08927020802419342 |
0.375 |
|
| 2009 |
Varanasi SR, Kumar P, Puranik VR, Umarji A, Yashonath S. Structure, energetics and diffusion properties of isomers of trimethyl benzene in β zeolite: Uptake and Monte Carlo simulation study Microporous and Mesoporous Materials. 125: 135-142. DOI: 10.1016/J.Micromeso.2009.01.031 |
0.488 |
|
| 2009 |
Sharma M, Yashonath S. How does contrasting dependence of impurity-atom diffusivity on the density of host disordered medium arise? Indian Journal of Physics. 83: 31-47. DOI: 10.1007/S12648-009-0002-6 |
0.525 |
|
| 2009 |
Pazzona FG, Borah BJ, Demontis P, Suffritti GB, Yashonath S. A comparative molecular dynamics study of diffusion of n-decane and 3-methyl pentane in Y zeolite Journal of Chemical Sciences. 121: 921-927. DOI: 10.1007/S12039-009-0109-5 |
0.492 |
|
| 2008 |
Demontis P, Suffritti GB, Yashonath S. Comment on “High-Accuracy Estimation of ‘Slow’ Molecular Diffusion Rates in Zeolite Nanopores, Based on Free Energy Calculations at an Ultrahigh Temperature” The Journal of Physical Chemistry C. 112: 17030-17031. DOI: 10.1021/Jp802989N |
0.462 |
|
| 2008 |
Yashonath S, Ghorai PK. ChemInform Abstract: Diffusion in Nanoporous Phases: Size Dependence and Levitation Effect Cheminform. 39. DOI: 10.1002/CHIN.200815217 |
0.392 |
|
| 2007 |
Yashonath S, Ghorai PK. Diffusion in nanoporous phases: size dependence and levitation effect. The Journal of Physical Chemistry. B. 112: 665-86. PMID 18085765 DOI: 10.1021/Jp076031Z |
0.757 |
|
| 2007 |
Sharma M, Yashonath S. Breakdown of the Stokes-Einstein relationship: role of interactions in the size dependence of self-diffusivity. The Journal of Physical Chemistry. B. 110: 17207-11. PMID 16928019 DOI: 10.1021/Jp064364A |
0.613 |
|
| 2007 |
Kamala CR, Ayappa KG, Yashonath S. Large distinct diffusivity in binary mixtures confined to zeolite Nay. The Journal of Physical Chemistry. B. 109: 22092-5. PMID 16853874 DOI: 10.1021/JP0548321 |
0.456 |
|
| 2007 |
Murugan NA, Yashonath S. Effect of pressure on pedal motion in stilbene molecular crystals and its dependence on the crystallographic site. The Journal of Physical Chemistry. B. 109: 12107-14. PMID 16852494 DOI: 10.1021/Jp044676I |
0.414 |
|
| 2007 |
Ghorai PK, Yashonath S. The Stokes-Einstein relationship and the levitation effect: size-dependent diffusion maximum in dense fluids and close-packed disordered solids. The Journal of Physical Chemistry. B. 109: 5824-35. PMID 16851635 DOI: 10.1021/Jp046312W |
0.751 |
|
| 2007 |
Ghorai PK, Yashonath S. 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. The Journal of Physical Chemistry. B. 109: 3979-83. PMID 16851453 DOI: 10.1021/Jp046121T |
0.735 |
|
| 2007 |
Murugan NA, Yashonath S. Pressure-induced ordering in adamantane: a Monte Carlo simulation study. The Journal of Physical Chemistry. B. 109: 2014-20. PMID 16851186 DOI: 10.1021/Jp047178I |
0.395 |
|
| 2007 |
Murugan NA, Yashonath S. Pressure induced orientational ordering in p-terphenyl. The Journal of Physical Chemistry. B. 109: 1433-40. PMID 16851114 DOI: 10.1021/Jp045913K |
0.404 |
|
| 2007 |
Ghorai PK, Yashonath S. Evidence in support of levitation effect as the reason for size dependence of ionic conductivity in water: a molecular dynamics simulation. The Journal of Physical Chemistry. B. 110: 12179-90. PMID 16800534 DOI: 10.1021/Jp061511W |
0.72 |
|
| 2007 |
Ghorai PK, Yashonath S. Existence of a size-dependent diffusivity maximum for uncharged solutes in water and its implications. The Journal of Physical Chemistry. B. 110: 12072-9. PMID 16800518 DOI: 10.1021/Jp060032U |
0.735 |
|
| 2007 |
Anil Kumar AV, Yashonath S, Ananthakrishna G. Separation of mixtures at nano length scales: blow torch and levitation effect. The Journal of Physical Chemistry. B. 110: 3835-40. PMID 16494444 DOI: 10.1021/Jp056077X |
0.402 |
|
| 2007 |
Sharma M, Yashonath S. Correction to “Breakdown of Stokes−Einstein Relationship: Role of Interactions in the Size Dependence of Self-Diffusivity” The Journal of Physical Chemistry B. 111: 7928-7928. DOI: 10.1021/Jp0795255 |
0.376 |
|
| 2007 |
Gautam S, Mitra S, Sayeed A, Yashonath S, Chaplot S, Mukhopadhyay R. Diffusion of 1,3-butadiene adsorbed in Na–Y zeolite: Neutron scattering study Chemical Physics Letters. 442: 311-315. DOI: 10.1016/J.Cplett.2007.05.109 |
0.492 |
|
| 2006 |
Ghorai PK, Yashonath S. Translational and rotational diffusion of SF6 in zeolite NaY. The Journal of Chemical Physics. 120: 5315-21. PMID 15267403 DOI: 10.1063/1.1647049 |
0.723 |
|
| 2006 |
Ghorai PK, Sluiter M, Yashonath S, Kawazoe Y. Intermolecular potential for methane in zeolite A and Y: Adsorption isotherm and related properties Solid State Sciences. 8: 248-258. DOI: 10.1016/J.Solidstatesciences.2006.02.016 |
0.517 |
|
| 2006 |
Mitra S, Gautam S, Mukhopadhyay R, Sumitra S, Umarji AM, Yashonath S, Chaplot SL. Diffusion of acetylene embedded in Na–Y zeolite: QENS and MD simulation studies Physica B-Condensed Matter. 385: 275-278. DOI: 10.1016/J.Physb.2006.05.066 |
0.469 |
|
| 2006 |
Kumar PP, Yashonath S. Ionic conduction in the solid state Journal of Chemical Sciences. 118: 135-154. DOI: 10.1007/Bf02708775 |
0.427 |
|
| 2006 |
Padma Kumar P, Yashonath S. Ionic Conduction in the Solid State Cheminform. 37. DOI: 10.1002/CHIN.200624229 |
0.22 |
|
| 2005 |
Murugan NA, Rao RS, Yashonath S, Ramasesha S, Godwal BK. High-pressure study of adamantane: variable shape simulations up to 26 GPa. The Journal of Physical Chemistry. B. 109: 17296-303. PMID 16853208 DOI: 10.1021/Jp053542H |
0.593 |
|
| 2005 |
Ghorai PK, Yashonath S, Lynden-Bell RM. Size-dependent maximum in ion conductivity: the levitation effect provides an alternative explanation. The Journal of Physical Chemistry. B. 109: 8120-4. PMID 16851949 DOI: 10.1021/Jp044605J |
0.759 |
|
| 2005 |
Ghorai PK, Kumar AV, Sastry S, Yashonath S. Diffusion maximum as a function of size in dense liquids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 030202. PMID 16241400 DOI: 10.1103/Physreve.72.030202 |
0.755 |
|
| 2005 |
Sharma M, Bhide SY, Yashonath S. Levitation effect: size-dependent maximum in rotational diffusion in confined systems. The Journal of Chemical Physics. 122: 144505. PMID 15847543 DOI: 10.1063/1.1882272 |
0.649 |
|
| 2005 |
Ghorai PK, Yashonath S. Classification of the third regime in the size dependence of self diffusivity in levitation effect Chemical Physics Letters. 402: 222-226. DOI: 10.1016/J.Cplett.2004.11.086 |
0.479 |
|
| 2004 |
Bhide SY, Yashonath S. Anomalous diffusion of linear and branched pentanes within zeolite NaY Molecular Physics. 102: 1057-1066. DOI: 10.1080/00268970410001734305 |
0.503 |
|
| 2004 |
Murugan NA, Yashonath S. Structure, Energetics, and Dynamics of Pedal-Like Motion in Stilbene from Molecular Simulation and ab Initio Calculations The Journal of Physical Chemistry B. 108: 17403-17411. DOI: 10.1021/JP0468859 |
0.344 |
|
| 2004 |
Ghorai PK, Yashonath S. Diffusion Anomaly at Low Temperatures in Confined Systems from the Rare Events Method The Journal of Physical Chemistry B. 108: 7098-7101. DOI: 10.1021/Jp037777+ |
0.513 |
|
| 2004 |
Murugan NA, Jha PC, Yashonath S, Ramasesha S. High Pressure Phase of Biphenyl at Room Temperature: A Monte Carlo Study The Journal of Physical Chemistry B. 108: 4178-4184. DOI: 10.1021/Jp037484G |
0.596 |
|
| 2004 |
Kamala CR, Ayappa KG, Yashonath S. Distinct Diffusion in Binary Mixtures Confined in Slit Graphite Pores The Journal of Physical Chemistry B. 108: 4411-4421. DOI: 10.1021/JP036291Q |
0.422 |
|
| 2004 |
Mitra S, Sumitra S, Umarji AM, Mukhopadhyay R, Yashonath S, Chaplot SL. Acetylene diffusion in Na-Y zeolite Pramana. 63: 449-453. DOI: 10.1007/Bf02705014 |
0.521 |
|
| 2003 |
Ghorai PK, Sluiter M, Yashonath S, Kawazoe Y. Adsorption isotherm and other properties of methane in zeolite A from an intermolecular potential derived from ab initio calculations. Journal of the American Chemical Society. 125: 16192-3. PMID 14692752 DOI: 10.1021/Ja037274H |
0.708 |
|
| 2003 |
Bhide SY, Yashonath S. n-Pentane and isopentane in one-dimensional channels. Journal of the American Chemical Society. 125: 7425-34. PMID 12797817 DOI: 10.1021/Ja0285868 |
0.417 |
|
| 2003 |
Ghorai PK, Yashonath S, Demontis P, Suffritti GB. Diffusion anomaly as a function of molecular length of linear molecules: levitation effect. Journal of the American Chemical Society. 125: 7116-23. PMID 12783565 DOI: 10.1021/Ja028534I |
0.738 |
|
| 2003 |
Sayeed A, Mitra S, Anil Kumar AV, Mukhopadhyay R, Yashonath S, Chaplot SL. Diffusion of Propane in Zeolite NaY: A Molecular Dynamics and Quasi-Elastic Neutron Scattering Study The Journal of Physical Chemistry B. 107: 527-533. DOI: 10.1021/Jp025576K |
0.527 |
|
| 2003 |
Mukhopadhyay R, Sayeed A, Rao MN, Anilkumar A, Mitra S, Yashonath S, Chaplot S. Rotation of propane molecules in supercages of Na–Y zeolite Chemical Physics. 292: 217-222. DOI: 10.1016/S0301-0104(03)00082-X |
0.278 |
|
| 2003 |
Kumar AVA, Yashonath S, Ananthakrishna G. Influence of temperature inhomogeneity on product profile of reactions occurring within zeolites Journal of Chemical Sciences. 115: 543-552. DOI: 10.1007/Bf02708246 |
0.49 |
|
| 2002 |
Mukhopadhyay R, Sayeed A, Mitra S, Anil Kumar AV, Rao MN, Yashonath S, Chaplot SL. Rotational dynamics of propane in Na-Y zeolite: a molecular dynamics and quasielastic neutron-scattering study. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 061201. PMID 12513271 DOI: 10.1103/Physreve.66.061201 |
0.474 |
|
| 2002 |
Kamala CR, Ayappa KG, Yashonath S. Mutual diffusion in a binary Ar-Kr mixture confined within zeolite NaY. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 061202. PMID 12188709 DOI: 10.1103/PHYSREVE.65.061202 |
0.416 |
|
| 2002 |
Kumar PP, Yashonath S. A full interionic potential for Na(1+x)Zr(2)Si(x)P(3-x)O(12) superionic conductors. Journal of the American Chemical Society. 124: 3828-9. PMID 11942809 DOI: 10.1021/Ja017356A |
0.339 |
|
| 2002 |
Anil Kumar AV, Yashonath S, Ananthakrishna G. Source of reaction-diffusion coupling in confined systems due to temperature inhomogeneities. Physical Review Letters. 88: 120601. PMID 11909438 DOI: 10.1103/Physrevlett.88.120601 |
0.478 |
|
| 2002 |
Ghorai PK, Yashonath S, Lynden-Bell RM. Estimation of slow diffusion rates in confined systems: CCL4 in zeolite NaA Molecular Physics. 100: 641-647. DOI: 10.1080/00268970110103147 |
0.422 |
|
| 2002 |
Bhide SY, Yashonath S. Orientational preference and influence of rotation on methane mobility in one-dimensional channels The Journal of Chemical Physics. 116: 2175-2183. DOI: 10.1063/1.1433464 |
0.385 |
|
| 2002 |
Kumar PP, Yashonath S. Structure, Conductivity, and Ionic Motion in Na1+xZr2SixP3-xO12: A Simulation Study The Journal of Physical Chemistry B. 106: 7081-7089. DOI: 10.1021/Jp020287H |
0.42 |
|
| 2002 |
Bhide SY, Yashonath S. Study of Translational and Rotational Mobility and Orientational Preference of Ethane in One-Dimensional Channels The Journal of Physical Chemistry A. 106: 7130-7137. DOI: 10.1021/Jp020101E |
0.439 |
|
| 2002 |
Padma Kumar P, Yashonath S. Ion Mobility and Levitation Effect: Anomalous Diffusion in Nasicon-Type Structure The Journal of Physical Chemistry B. 106: 3443-3448. DOI: 10.1021/Jp013699J |
0.451 |
|
| 2002 |
Ghorai PK, Yashonath S. Low temperature intracage and intercage migration rates for guest atoms of varying sizes in zeolite NaY Chemical Physics Letters. 359: 507-515. DOI: 10.1016/S0009-2614(02)00728-5 |
0.413 |
|
| 2002 |
Mitra S, Mukhopadhyay R, Sayeed A, Yashonath S, Chaplot S. Dynamics of propane in Na-Y zeolite Applied Physics a: Materials Science & Processing. 74: s1317-s1319. DOI: 10.1007/S003390101226 |
0.514 |
|
| 2001 |
Anil Kumar AV, Yashonath S, Sluiter M, Kawazoe Y. Rotational motion of methane within the confines of zeolite NaCa A: molecular dynamics and ab initio calculations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 011203. PMID 11800686 DOI: 10.1103/Physreve.65.011203 |
0.438 |
|
| 2001 |
Chitra R, Anil Kumar AV, Yashonath S. Translational–orientational coupling during passage of methane through the bottleneck in zeolite A The Journal of Chemical Physics. 114: 11. DOI: 10.1063/1.1334956 |
0.517 |
|
| 2001 |
Padma kumar P, Yashonath S. Lithium Ion Motion in LiZr2(PO4)3 The Journal of Physical Chemistry B. 105: 6785-6791. DOI: 10.1021/Jp004021R |
0.445 |
|
| 2001 |
Bhide SY, Kumar AVA, Yashonath S. Diffusion of hydrocarbons in confined media: Translational and rotational motion Journal of Chemical Sciences. 113: 559-577. DOI: 10.1007/Bf02708790 |
0.488 |
|
| 2001 |
Santikary P, Yashonath S. Deviation from Arrhenius behaviour of rate of intercage diffusion in Zeolite Y1 Electronic Journal of Theoretical Chemistry. 1: 87-92. DOI: 10.1002/Ejtc.15 |
0.485 |
|
| 2000 |
RAJAPPA C, YASHONATH S. Separation of multi-component mixtures by the use of the anomalous regime in the diffusivity Molecular Physics. 98: 657-665. DOI: 10.1080/00268970009483333 |
0.482 |
|
| 2000 |
Sarkar S, Kumar AVA, Yashonath S. Diffusion anomaly from analytical formula The Journal of Chemical Physics. 112: 965-969. DOI: 10.1063/1.480646 |
0.525 |
|
| 2000 |
Kumar AVA, Yashonath S, Chaplot SL. A study of the condensed phases and solid–solid phase transition in toluene: A Monte Carlo investigation The Journal of Chemical Physics. 113: 8070-8079. DOI: 10.1063/1.1316006 |
0.406 |
|
| 2000 |
Bhide SY, Yashonath S. Types of Dependence of Self-Diffusivity on Sorbate Concentration in Parameter Space: A Two-Dimensional Lattice Gas Study† The Journal of Physical Chemistry B. 104: 2607-2612. DOI: 10.1021/Jp993287Z |
0.463 |
|
| 2000 |
Bhide SY, Yashonath S. Structure and Dynamics of Benzene in One-Dimensional Channels The Journal of Physical Chemistry B. 104: 11977-11986. DOI: 10.1021/Jp002626H |
0.403 |
|
| 2000 |
Kumar AVA, Yashonath S. Effect of a Distribution of Pore Dimension on Levitation Effect† The Journal of Physical Chemistry B. 104: 9126-9130. DOI: 10.1021/Jp001670U |
0.48 |
|
| 1999 |
Bhide SY, Yashonath S. Dependence of the self-diffusion coefficient on the sorbate concentration: A two-dimensional lattice gas model with and without confinement The Journal of Chemical Physics. 111: 1658-1667. DOI: 10.1063/1.479425 |
0.457 |
|
| 1999 |
Rajappa C, Yashonath S. Levitation effect and its relationship with the underlying potential energy landscape The Journal of Chemical Physics. 110: 5960-5968. DOI: 10.1063/1.478496 |
0.46 |
|
| 1997 |
Bhattacharjee B, Yashonath S. Dependence of diffusion properties in zeolites Y and A: a search in the sorbate interaction parameter space Molecular Physics. 90: 889-894. DOI: 10.1080/00268979709482672 |
0.496 |
|
| 1997 |
Yashonath S, and Chitra Rajappa b. Temperature dependence of the levitation effect Implications for separation of multicomponent mixtures Faraday Discussions. 106: 105-118. DOI: 10.1039/A701278K |
0.515 |
|
| 1997 |
Rajappa C, Yashonath S. Levitation Effect and Its Dependence on Sorbate Concentration† The Journal of Physical Chemistry B. 101: 8035-8037. DOI: 10.1021/Jp972168L |
0.502 |
|
| 1997 |
Chitra R, Yashonath S. Estimation of Error in the Diffusion Coefficient from Molecular Dynamics Simulations† The Journal of Physical Chemistry B. 101: 5437-5445. DOI: 10.1021/Jp9703059 |
0.467 |
|
| 1997 |
Bandyopadhyay S, Yashonath S. Conformational Analysis ofn-Butane in Zeolite NaCaA: Temperature and Concentration Dependence† The Journal of Physical Chemistry B. 101: 5675-5683. DOI: 10.1021/Jp963379D |
0.401 |
|
| 1997 |
Chitra R, Yashonath S. Inverse Surface Melting in Confined Clusters: Ar13in Zeolite L† The Journal of Physical Chemistry B. 101: 389-395. DOI: 10.1021/JP961872J |
0.227 |
|
| 1997 |
Bandyopadhyay S, Yashonath S. A Monte Carlo Method for Estimation of Pore Volumes of Zeolites Zeolites. 19: 51-56. DOI: 10.1016/S0144-2449(97)00034-1 |
0.41 |
|
| 1996 |
Bandyopadhyay S, Yashonath S. Conformation of confined alkanes: n‐butane in zeolite Y The Journal of Chemical Physics. 105: 7223-7226. DOI: 10.1063/1.471845 |
0.387 |
|
| 1996 |
Chitra R, Yashonath S. Monte Carlo simulation of an argon cluster confined in zeolite NaCaA Chemical Physics Letters. 252: 384-388. DOI: 10.1016/0009-2614(96)00193-5 |
0.399 |
|
| 1995 |
Chakrabarti A, Yashonath S, Rao CNR. A Monte Carlo study of the condensed phases of biphenyl Molecular Physics. 84: 49-68. DOI: 10.1080/00268979500100041 |
0.591 |
|
| 1995 |
Bandyopadhyay S, Yashonath S. Diffusion Anomaly in Silicalite and VPI-5 from Molecular Dynamics Simulations The Journal of Physical Chemistry. 99: 4286-4292. DOI: 10.1021/J100012A060 |
0.525 |
|
| 1995 |
Chitra R, Yashonath S. Diffusion behaviour of binary mixtures in restricted regions of zeolite NaY from molecular dynamics calculations Chemical Physics Letters. 234: 16-20. DOI: 10.1016/0009-2614(95)00031-X |
0.513 |
|
| 1994 |
Chakrabarti A, Yashonath S, Rao CNR. Comparison of positional disorder in the liquid and glassy states of hydrocarbons: Dependence of disorder on molecular shape Molecular Physics. 81: 467-473. DOI: 10.1080/00268979400100301 |
0.575 |
|
| 1994 |
Yashonath S, Santikary P. Diffusion in zeolites: Anomalous dependence on sorbate diameter The Journal of Chemical Physics. 100: 4013-4016. DOI: 10.1063/1.466336 |
0.519 |
|
| 1994 |
Ghosh M, Ananthakrishna G, Yashonath S, Demontis P, Suffritti G. Probing Potential Energy Surfaces in Confined Systems: Behavior of Mean-Square Displacement in Zeolites The Journal of Physical Chemistry. 98: 9354-9359. DOI: 10.1021/J100088A043 |
0.466 |
|
| 1994 |
Santikary P, Yashonath S. Dynamics of Zeolite Cage and Its Effect on the Diffusion Properties of Sorbate: Persistence of Diffusion Anomaly in NaA Zeolite The Journal of Physical Chemistry. 98: 9252-9259. DOI: 10.1021/J100088A027 |
0.539 |
|
| 1994 |
Yashonath S, Santikary P. Diffusion of Sorbates in Zeolites Y and A: Novel Dependence on Sorbate Size and Strength of Sorbate-Zeolite Interaction The Journal of Physical Chemistry. 98: 6368-6376. DOI: 10.1021/J100076A022 |
0.53 |
|
| 1994 |
Yashonath S, Banyopadhyay S. Surprising diffusion behaviour in the restricted regions of silicalite Chemical Physics Letters. 228: 284-288. DOI: 10.1016/0009-2614(94)00902-3 |
0.516 |
|
| 1994 |
Bandyopadhyay S, Yashonath S. Anomalous behaviour of cage-to-cage diffusion of methane in zeolites A and Y Chemical Physics Letters. 223: 363-368. DOI: 10.1016/0009-2614(94)00465-X |
0.519 |
|
| 1994 |
Bandyopadhyay S, Yashonath S. Sorbate Properties of Xenon in Cloverite: A Molecular Dynamics Study Journal of Solid State Chemistry. 111: 151-156. DOI: 10.1006/Jssc.1994.1211 |
0.483 |
|
| 1993 |
Yashonath S, Santikary P. Influence of non-geometrical factors on intracrystalline diffusion Molecular Physics. 78: 1-6. DOI: 10.1080/00268979300100011 |
0.521 |
|
| 1993 |
Yashonath S, Santikary P. Sorbate properties and cage-to-cage diffusion of argon in NaCaA: a molecular dynamics study The Journal of Physical Chemistry. 97: 13778-13787. DOI: 10.1021/J100153A056 |
0.552 |
|
| 1993 |
Yashonath S, Santikary P. Xenon in sodium Y zeolite. 2. Arrhenius relation, mechanism, and barrier height distribution for cage-to-cage diffusion The Journal of Physical Chemistry. 97: 3849-3857. DOI: 10.1021/J100117A036 |
0.533 |
|
| 1993 |
Chakrabarti A, Yashonath S, Rao CNR. Role of molecular reorientation in the vitrification of molecular liquids: A Monte Carlo study of the liquid and glassy states of 2,2-dimethylbutane☆ Journal of Molecular Liquids. 57: 177-193. DOI: 10.1016/0167-7322(93)80053-X |
0.605 |
|
| 1993 |
Chakrabarti A, Yashonath S, Rao CNR. Orientational glassy phases of C 60 and neopentane. A Monte Carlo study Chemical Physics Letters. 215: 591-595. DOI: 10.1016/0009-2614(93)89361-K |
0.56 |
|
| 1993 |
Santikary P, Yashonath S. Effect of Sorbate-Zeolite Interaction on Cluster Lifetime and Size of Sorbates: Xe in NaY Journal of Solid State Chemistry. 106: 184-189. DOI: 10.1006/Jssc.1993.1278 |
0.403 |
|
| 1992 |
Santikary P, Yashonath S. Molecular dynamics investigation of sorption of argon in NaCaA zeolite Journal of the Chemical Society, Faraday Transactions. 88: 1063. DOI: 10.1039/Ft9928801063 |
0.521 |
|
| 1992 |
Santikary P, Yashonath S, Ananthakrishna G. A molecular dynamics study of xenon sorbed in sodium Y zeolite. 1. Temperature and concentration dependence The Journal of Physical Chemistry. 96: 10469-10477. DOI: 10.1021/J100204A065 |
0.499 |
|
| 1992 |
Chakrabarti A, Yashonath S, Rao CNR. Importance of orientational rearrangement during vitrification of hydrocarbons: dependence on molecular shape The Journal of Physical Chemistry. 96: 6762-6766. DOI: 10.1021/J100195A043 |
0.599 |
|
| 1992 |
Santikary P, Yashonath S, Rao CNR. Molecular dynamics simulation of clathrates: noble gases in the cages of β-hydroquinone Chemical Physics Letters. 192: 390-394. DOI: 10.1016/0009-2614(92)85488-V |
0.584 |
|
| 1992 |
Yashonath S, Jyothi Bhasu V. Structure-potential relationship and nature of disorder in liquids and glassy solids Chemical Physics Letters. 189: 311-315. DOI: 10.1016/0009-2614(92)85207-Q |
0.415 |
|
| 1991 |
Yashonath S, Demontis P, Klein ML. Temperature and concentration dependence of adsorption properties of methane in NaY: a molecular dynamics study The Journal of Physical Chemistry. 95: 5881-5889. DOI: 10.1021/J100168A032 |
0.592 |
|
| 1991 |
Yashonath S. A molecular dynamics study of cage-to-cage migration in sodium Y zeolite: role of surface-mediated diffusion The Journal of Physical Chemistry. 95: 5877-5881. DOI: 10.1021/J100168A031 |
0.499 |
|
| 1991 |
Yashonath S, Rao C. Structure and dynamics of polar liquids: A molecular dynamics investigation of N,N-dimethyl formamide Chemical Physics. 155: 351-356. DOI: 10.1016/0301-0104(91)80111-T |
0.296 |
|
| 1991 |
Yashonath S. Adsorption of xenon in zeolite Y: a molecular dynamics study Chemical Physics Letters. 177: 54-58. DOI: 10.1016/0009-2614(91)90175-9 |
0.48 |
|
| 1989 |
Demontis P, Yashonath S, Klein ML. Localization and mobility of benzene in sodium-Y zeolite by molecular dynamics calculations The Journal of Physical Chemistry. 93: 5016-5019. DOI: 10.1021/J100350A003 |
0.501 |
|
| 1988 |
Williams C, Yashonath S, Thomas JM. New methods of probing the structure of catalysts International Reviews in Physical Chemistry. 7: 81-87. DOI: 10.1080/01442358809353206 |
0.384 |
|
| 1988 |
Yashonath S, Price SL, McDonald IR. A six-site anisotropic atom-atom potential model for the condensed phases of benzene Molecular Physics. 64: 361-376. DOI: 10.1080/00268978800100273 |
0.396 |
|
| 1988 |
Yashonath S, Thomas JM, Nowak AK, Cheetham AK. The siting, energetics and mobility of saturated hydrocarbons inside zeolitic cages: methane in zeolite Y Nature. 331: 601-604. DOI: 10.1038/331601A0 |
0.516 |
|
| 1988 |
Yashonath S, Demontis P, Klein ML. A molecular dynamics study of methane in zeolite NaY Chemical Physics Letters. 153: 551-556. DOI: 10.1016/0009-2614(88)85259-X |
0.578 |
|
| 1988 |
THOMAS JM, WILLIAMS C, YASHONATH S. ChemInform Abstract: Advances in the Characterization of Catalysts Cheminform. 19. DOI: 10.1002/CHIN.198827356 |
0.2 |
|
| 1988 |
RAO CNR, YASHONATH S. ChemInform Abstract: Computer Simulation of Transformations in Solids Cheminform. 19. DOI: 10.1002/CHIN.198803395 |
0.258 |
|
| 1987 |
Rao C, Yashonath S. Computer simulation of transformations in solids Journal of Solid State Chemistry. 68: 193-213. DOI: 10.1016/0022-4596(87)90304-5 |
0.254 |
|
| 1987 |
Thomas JM, Williams C, Yashonath S. Advances in the characterization of catalysts Reaction Kinetics and Catalysis Letters. 35: 249-259. DOI: 10.1007/Bf02062161 |
0.349 |
|
| 1986 |
Yashonath S, Rao CNR. Structural changes accompanying the formation of isopentane glass The Journal of Physical Chemistry. 90: 2581-2584. DOI: 10.1021/J100403A008 |
0.242 |
|
| 1986 |
Yashonath S, Rao CNR. An investigation of solid adamantane by a modified isothermal-isobaric ensemble Monte Carlo simulation The Journal of Physical Chemistry. 90: 2552-2554. DOI: 10.1021/J100403A002 |
0.315 |
|
| 1985 |
Yashonath S, Rao KJ, Rao CN. Glass transition in isopentane: A Monte Carlo study. Physical Review. B, Condensed Matter. 31: 3196-3198. PMID 9936200 DOI: 10.1103/Physrevb.31.3196 |
0.744 |
|
| 1985 |
Yashonath S, Rao CNR. Monte Carlo simulation of isopentane glass Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 400: 61-73. DOI: 10.1098/Rspa.1985.0068 |
0.593 |
|
| 1985 |
Yashonath S, Rao CNR. A Monte Carlo study of crystal structure transformations Molecular Physics. 54: 245-251. DOI: 10.1080/00268978500100201 |
0.542 |
|
| 1985 |
Yashonath S, Rao CNR. Monte Carlo simulation of the crystal to plastic crystal transition in carbon tetrachloride Chemical Physics Letters. 119: 22-28. DOI: 10.1016/0009-2614(85)85413-0 |
0.571 |
|
| 1984 |
Yashonath S, Sarma D. Mean-field results of a lattice-gas model of multilayer adsorption Chemical Physics Letters. 110: 265-269. DOI: 10.1016/0009-2614(84)85226-4 |
0.554 |
|
| 1983 |
Yashonath S, Sen P, Hegde MS, Rao CNR. Metal Auger intensity ratios in transition metals and their compounds Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 79: 1229. DOI: 10.1039/F19837901229 |
0.323 |
|
| 1983 |
Yashonath S, Rao C. Plastic and glassy crystalline states of methane: A Monte Carlo simulation study Chemical Physics Letters. 101: 524-527. DOI: 10.1016/0009-2614(83)87027-4 |
0.41 |
|
| 1982 |
Vishnu Kamath P, Yashonath S, Srinivasan A, Rao C. Study of adsorbed molecules by Auger spectroscopy Applications of Surface Science. 10: 559-566. DOI: 10.1016/0378-5963(82)90157-X |
0.543 |
|
| 1982 |
Rao CNR, Kamath PV, Yashonath S. Molecularly adsorbed oxygen on metals: electron spectroscopic studies Chemical Physics Letters. 88: 13-16. DOI: 10.1016/0009-2614(82)80060-2 |
0.509 |
|
| 1982 |
Yashonath S, Krishnamurthy B, Ramasesha S, Rao CNR. Monte Carlo simulation of mictomagnets European Physical Journal B. 46: 341-346. DOI: 10.1007/Bf01307709 |
0.653 |
|
| 1981 |
Yashonath S. Relaxation time of chemical reactions from network thermodynamics The Journal of Physical Chemistry. 85: 1808-1810. DOI: 10.1021/J150613A009 |
0.344 |
|
| 1981 |
Yashonath S, Hegde MS, Sarode PR, Rao CNR, Umarji AM, Rao GVS. Charge transfer in chevrel phases Solid State Communications. 37: 325-327. DOI: 10.1016/0038-1098(81)90369-0 |
0.616 |
|
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