Jayant K. Singh, Ph.D. - Publications

Affiliations: 
Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh, India 
Area:
Chemical Engineering, Physical Chemistry, Molecular Physics

116 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Mir SH, Yadav VK, Singh JK. Efficient CO Capture and Activation on Novel Two-Dimensional Transition Metal Borides. Acs Applied Materials & Interfaces. PMID 35739647 DOI: 10.1021/acsami.2c02469  0.552
2021 Goswami A, Singh JK. Homogeneous nucleation of sheared liquids: advances and insights from simulations and theory. Physical Chemistry Chemical Physics : Pccp. 23: 15402-15419. PMID 34279013 DOI: 10.1039/d1cp02617h  0.593
2021 Goswami A, Dalal IS, Singh JK. Universal Nucleation Behavior of Sheared Systems. Physical Review Letters. 126: 195702. PMID 34047572 DOI: 10.1103/PhysRevLett.126.195702  0.771
2021 Goswami A, Singh JK. A hybrid topological and shape-matching approach for structure analysis. The Journal of Chemical Physics. 154: 154502. PMID 33887919 DOI: 10.1063/5.0046419  0.578
2020 Yadav VK, Mir SH, Mishra V, Gopakumar TG, Singh JK. A simple molecular design for tunable two-dimensional imine covalent organic frameworks for optoelectronic applications. Physical Chemistry Chemical Physics : Pccp. PMID 32940303 DOI: 10.1039/D0Cp02961K  0.574
2020 Goswami A, Dalal IS, Singh JK. Seeding method for ice nucleation under shear. The Journal of Chemical Physics. 153: 094502. PMID 32891087 DOI: 10.1063/5.0021206  0.755
2020 Mir SH, Yadav VK, Singh JK. Recent Advances in the Carrier Mobility of Two-Dimensional Materials: A Theoretical Perspective. Acs Omega. 5: 14203-14211. PMID 32596556 DOI: 10.1021/acsomega.0c01676  0.495
2020 Bangari RS, Yadav VK, Singh JK, Sinha N. FeO-Functionalized Boron Nitride Nanosheets as Novel Adsorbents for Removal of Arsenic(III) from Contaminated Water. Acs Omega. 5: 10301-10314. PMID 32426587 DOI: 10.1021/acsomega.9b04295  0.532
2020 Goswami R, Goswami A, Singh JK. d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations. Journal of Chemical Information and Modeling. PMID 32196327 DOI: 10.1021/Acs.Jcim.0C00031  0.75
2020 Goswami A, Singh JK. Exploring the Anomalous Phase Behavior of High-Pressure Ices in Diamond Confinement The Journal of Physical Chemistry C. 124: 5460-5468. DOI: 10.1021/Acs.Jpcc.9B11531  0.629
2020 Sappidi P, Singh JK. Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface Journal of Chemical & Engineering Data. 65: 1051-1059. DOI: 10.1021/Acs.Jced.9B00462  0.322
2020 Mir SH, Yadav VK, Singh JK. Unraveling the stacking effect and stability in nanocrystalline antimony through DFT Journal of Physics and Chemistry of Solids. 136: 109156. DOI: 10.1016/J.Jpcs.2019.109156  0.572
2020 Yadav VK, Mir SH, Singh JK. Electronic properties and superior CO2 capture selectivity of metal nitride (XN) and phosphide (XP) (X = Al, Ga and In) sheets Applied Surface Science. 527: 146445. DOI: 10.1016/J.Apsusc.2020.146445  0.574
2019 Saha P, Yadav VK, Gurunarayanan V, Ramapanicker R, Singh JK, Gopakumar TG. Revealing the Limits of Intermolecular Interactions: Molecular Rings of Ferrocene Derivatives on Graphite Surface. The Journal of Physical Chemistry Letters. 297-302. PMID 31842542 DOI: 10.1021/Acs.Jpclett.9B03357  0.584
2019 Goswami A, Singh JK. A general topological network criterion for exploring the structure of icy nanoribbons and monolayers. Physical Chemistry Chemical Physics : Pccp. PMID 31789326 DOI: 10.1039/C9Cp04902A  0.6
2019 Mir SH, Yadav VK, Singh JK. Boron-Carbon-Nitride Sheet as a Novel Surface for Biological Applications: Insights from Density Functional Theory. Acs Omega. 4: 3732-3738. PMID 31459586 DOI: 10.1021/acsomega.8b03454  0.545
2019 Mishra V, Yadav VK, Singh JK, Gopakumar TG. Electronic Structure of a Semi-conducting Imine-Covalent Organic Framework. Chemistry, An Asian Journal. PMID 31310046 DOI: 10.1002/Asia.201900586  0.581
2019 Bangari RS, Singh A, Namsani S, Singh JK, Sinha N. Magnetite Coated Boron Nitride Nanosheets for the Removal of Arsenic (V) from Water. Acs Applied Materials & Interfaces. PMID 31017758 DOI: 10.1021/Acsami.8B22401  0.318
2019 Katiyar P, Singh JK. Evaporation induced self-assembly of different shapes and sizes of nanoparticles: A molecular dynamics study. The Journal of Chemical Physics. 150: 044708. PMID 30709307 DOI: 10.1063/1.5053974  0.318
2019 Yadav VK, Mir SH, Singh JK. Density functional theory study of aspirin adsorption on BCN sheets and their hydrogen evolution reaction activity: a comparative study with graphene and hexagonal boron nitride. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30623536 DOI: 10.1002/Cphc.201801173  0.578
2019 Metya AK, Singh JK. Ice adhesion mechanism on lubricant-impregnated surfaces using molecular dynamics simulations Molecular Simulation. 45: 394-402. DOI: 10.1080/08927022.2018.1513649  0.314
2019 Prerna, Goswami R, Metya AK, Shevkunov SV, Singh JK. Study of ice nucleation on silver iodide surface with defects Molecular Physics. DOI: 10.1080/00268976.2019.1657599  0.761
2019 Saha P, Yadav VK, Gurunarayanan V, Ramapanicker R, Singh JK, Gopakumar TG. Understanding the Adsorption Energetics of Growth Polymorphs of Ferrocene Derivatives: Microscopic Thermal Desorption Analysis The Journal of Physical Chemistry C. 123: 18488-18494. DOI: 10.1021/Acs.Jpcc.9B05557  0.583
2019 Sappidi P, Boda A, Ali SM, Singh JK. Adsorption of Gadolinium (Gd3+) Ions on the Dibenzo Crown Ether (DBCE) and Dicyclo Hexano Crown Ether (DCHCE) Grafted on the Polystyrene Surface: Insights from All Atom Molecular Dynamics Simulations and Experiments Journal of Physical Chemistry C. 123: 12276-12285. DOI: 10.1021/Acs.Jpcc.9B01722  0.308
2019 Maurya M, Singh JK. Effect of Ionic Liquid Impregnation in Highly Water-Stable Metal–Organic Frameworks, Covalent Organic Frameworks, and Carbon-Based Adsorbents for Post-combustion Flue Gas Treatment Energy & Fuels. 33: 3421-3428. DOI: 10.1021/Acs.Energyfuels.9B00179  0.3
2019 Yadav VK, Mir SH, Singh JK. A computational study of structural, electronic and carrier mobility of boron and phosphorus/nitrogen co-doped graphene Physica B-Condensed Matter. 571: 291-295. DOI: 10.1016/J.Physb.2019.07.017  0.568
2019 Ghosh S, Singh JK. Hydrogen adsorption in pyridine bridged porphyrin-covalent organic framework International Journal of Hydrogen Energy. 44: 1782-1796. DOI: 10.1016/J.Ijhydene.2018.11.066  0.324
2018 Peng X, Jain SK, Singh JK, Liu A, Jin Q. Formation patterns of water clusters in CMK-3 and CMK-5 mesoporous carbons: a computational recognition study. Physical Chemistry Chemical Physics : Pccp. PMID 29896587 DOI: 10.1039/C8Cp01887A  0.312
2018 Katiyar P, Singh JK. The effect of ionisation of silica nanoparticles on their binding to nonionic surfactants in oil–water system: an atomistic molecular dynamic study Molecular Physics. 116: 2022-2031. DOI: 10.1080/00268976.2018.1456683  0.316
2018 Metya AK, Singh JK. Ice Nucleation on a Graphite Surface in the Presence of Nanoparticles Journal of Physical Chemistry C. 122: 19056-19066. DOI: 10.1021/Acs.Jpcc.8B05989  0.36
2018 Metya AK, Singh JK. Nucleation of Aqueous Salt Solutions on Solid Surfaces Journal of Physical Chemistry C. 122: 8277-8287. DOI: 10.1021/Acs.Jpcc.7B12495  0.393
2018 Namsani S, Singh JK. Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.7B09643  0.318
2018 Majumdar S, Maurya M, Singh JK. Adsorptive Separation of CO2 from Multicomponent Mixtures of Flue Gas in Carbon Nanotube Arrays: A Grand Canonical Monte Carlo Study Energy & Fuels. 32: 6090-6097. DOI: 10.1021/Acs.Energyfuels.8B00649  0.304
2018 Shevkunov SV, Singh JK. Bicanonical ensemble Monte Carlo simulation of water condensation in the field of crystal lattice defects Journal of Molecular Liquids. 264: 150-164. DOI: 10.1016/J.Molliq.2018.05.004  0.363
2017 Sappidi PK, Namsani S, Ali SM, Singh JK. Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) With Octanol and Nitrobenzene: A Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 29281280 DOI: 10.1021/Acs.Jpcb.7B11384  0.325
2017 Katiyar P, Singh JK. A coarse-grain molecular dynamics study of oil-water interfaces in the presence of silica nanoparticles and nonionic surfactants. The Journal of Chemical Physics. 146: 204702. PMID 28571351 DOI: 10.1063/1.4984073  0.34
2017 Bhandary D, Velachi V, Dias Soeiro Cordeiro MN, Singh JK. Janus Gold Nanoparticles from Nano Droplets of Alkyl Thiols: A Molecular Dynamics Study. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28256843 DOI: 10.1021/Acs.Langmuir.6B04680  0.715
2017 Namsani S, Auluck S, Singh JK. Thermal conductivity of thermoelectric material β-Cu2Se: Implications on phonon thermal transport Applied Physics Letters. 111: 163903. DOI: 10.1063/1.4999405  0.307
2017 Kommu A, Singh JK. Separation of Ethanol and Water Using Graphene and Hexagonal Boron Nitride Slit Pores: A Molecular Dynamics Study Journal of Physical Chemistry C. 121: 7867-7880. DOI: 10.1021/Acs.Jpcc.7B00172  0.311
2017 Sinha N, Singh JK. Effect of nanoparticles on vapour-liquid surface tension of water: A molecular dynamics study Journal of Molecular Liquids. 246: 244-250. DOI: 10.1016/J.Molliq.2017.09.059  0.349
2017 Singh AK, Singh JK. Fabrication of durable super-repellent surfaces on cotton fabric with liquids of varying surface tension: Low surface energy and high roughness Applied Surface Science. 416: 639-648. DOI: 10.1016/J.Apsusc.2017.04.148  0.333
2016 Metya AK, Singh JK, Müller-Plathe F. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states. Physical Chemistry Chemical Physics : Pccp. 18: 26796-26806. PMID 27711467 DOI: 10.1039/C6Cp04382H  0.377
2016 Velachi V, Bhandary D, Singh JK, Cordeiro MN. Striped gold nanoparticles: New insights from molecular dynamics simulations. The Journal of Chemical Physics. 144: 244710. PMID 27369536 DOI: 10.1063/1.4954980  0.731
2016 Biswal NR, Rangera N, Singh JK. Effect of Different Surfactants on the Interfacial Behavior of n-Hexane-Water System in Presence of Silica Nanoparticles. The Journal of Physical Chemistry. B. PMID 27367433 DOI: 10.1021/Acs.Jpcb.6B03763  0.325
2016 Bhandary D, Benková Z, Cordeiro MN, Singh JK. Molecular dynamics study of wetting behavior of grafted thermo-responsive PNIPAAm brushes. Soft Matter. 12: 3093-102. PMID 26898416 DOI: 10.1039/C5Sm02684A  0.729
2016 Namsani S, Singh JK. Dewetting dynamics of a gold film on graphene: implications for nanoparticle formation. Faraday Discussions. PMID 26791560 DOI: 10.1039/C5Fd00118H  0.316
2016 Rahimi M, Singh JK, Müller-Plathe F. Adsorption and separation of binary and ternary mixtures of SO2, CO2 and N2 by ordered carbon nanotube arrays: grand-canonical Monte Carlo simulations. Physical Chemistry Chemical Physics : Pccp. 18: 4112-20. PMID 26780490 DOI: 10.1039/C5Cp06377A  0.335
2016 Biswal NR, Singh JK. Interfacial behavior of nonionic Tween 20 surfactant at oil–water interfaces in the presence of different types of nanoparticles Rsc Advances. 6: 113307-113314. DOI: 10.1039/C6Ra23093H  0.304
2016 Kommu A, Namsani S, Singh JK. Removal of heavy metal ions using functionalized graphene membranes: A molecular dynamics study Rsc Advances. 6: 63190-63199. DOI: 10.1039/C6Ra06817K  0.32
2016 Yang YB, Rahimi M, Singh JK, Böhm MC, Müller-Plathe F. Adsorption and Condensation of SO2 in Double-Walled Carbon Nanotube Arrays Studied by Monte Carlo Simulations and Simple Analytical Models Journal of Physical Chemistry C. 120: 7510-7521. DOI: 10.1021/Acs.Jpcc.5B08910  0.308
2016 Katiyar P, Patra TK, Singh JK, Sarkar D, Pramanik A. Understanding adsorption behavior of silica nanoparticles over a cellulose surface in an aqueous medium Chemical Engineering Science. 141: 293-303. DOI: 10.1016/J.Ces.2015.11.026  0.335
2015 Rahimi M, Babu DJ, Singh JK, Yang YB, Schneider JJ, Müller-Plathe F. Double-walled carbon nanotube array for CO2 and SO2 adsorption. The Journal of Chemical Physics. 143: 124701. PMID 26429026 DOI: 10.1063/1.4929609  0.302
2015 Bose A, Metya AK, Singh JK. Surface effect on the electromelting behavior of nanoconfined water. Physical Chemistry Chemical Physics : Pccp. 17: 23147-54. PMID 26278061 DOI: 10.1039/C5Cp03778F  0.402
2015 Anitha K, Namsani S, Singh JK. Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study. The Journal of Physical Chemistry. A. 119: 8349-58. PMID 26158866 DOI: 10.1021/Acs.Jpca.5B03352  0.303
2015 Namsani S, Nair NN, Singh JK. Interaction potential models for bulk ZnS, ZnS nanoparticle, and ZnS nanoparticle-PMMA from first-principles. Journal of Computational Chemistry. 36: 1176-86. PMID 25899792 DOI: 10.1002/Jcc.23912  0.3
2015 Sharma A, Namsani S, Singh JK. Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores Molecular Simulation. 41: 414-422. DOI: 10.1080/08927022.2014.968850  0.346
2015 Velachi V, Bhandary D, Singh JK, Cordeiro MNDS. Structure of Mixed Self-Assembled Monolayers on Gold Nanoparticles at Three Different Arrangements Journal of Physical Chemistry C. 119: 3199-3209. DOI: 10.1021/Jp512144G  0.719
2014 Ramírez R, Singh JK, Müller-Plathe F, Böhm MC. Ice and water droplets on graphite: a comparison of quantum and classical simulations. The Journal of Chemical Physics. 141: 204701. PMID 25429951 DOI: 10.1063/1.4901562  0.36
2014 Sahu P, Ali SM, Singh JK. Structural and dynamical properties of Li+-dibenzo-18-crown-6(DB18C6) complex in pure solvents and at the aqueous-organic interface. Journal of Molecular Modeling. 20: 2413. PMID 25129659 DOI: 10.1007/S00894-014-2413-3  0.306
2014 Das CK, Singh JK. Melting transition of Lennard-Jones fluid in cylindrical pores. The Journal of Chemical Physics. 140: 204703. PMID 24880307 DOI: 10.1063/1.4876077  0.356
2014 Khan S, Singh JK. Wetting transition of nanodroplets of water on textured surfaces: A molecular dynamics study Molecular Simulation. 40: 458-468. DOI: 10.1080/08927022.2013.819578  0.352
2014 Singh JK, Müller-Plathe F. On the characterization of crystallization and ice adhesion on smooth and rough surfaces using molecular dynamics Applied Physics Letters. 104. DOI: 10.1063/1.4862257  0.374
2014 Das CK, Singh JK. Oscillatory melting temperature of stockmayer fluid in slit pores Journal of Physical Chemistry C. 118: 20848-20857. DOI: 10.1021/Jp503044V  0.372
2014 Bhandary D, Khan S, Singh JK. Structure and dynamics of n-alkanol monolayers on a mica surface Journal of Physical Chemistry C. 118: 6809-6819. DOI: 10.1021/Jp412137W  0.733
2014 Metya AK, Khan S, Singh JK. Wetting transition of the ethanol-water droplet on smooth and textured surfaces Journal of Physical Chemistry C. 118: 4113-4121. DOI: 10.1021/Jp4096437  0.35
2014 Bhandary D, Srivastava K, Srivastava R, Singh JK. Effects of Electric Field on the Vapor–Liquid Equilibria of Nanoconfined Methanol and Ethanol Journal of Chemical & Engineering Data. 59: 3090-3097. DOI: 10.1021/Je5001582  0.703
2014 Patra TK, Katiyar P, Singh JK. Substrate directed self-assembly of anisotropic nanoparticles Chemical Engineering Science. DOI: 10.1016/J.Ces.2014.09.023  0.304
2013 Das CK, Singh JK. Effect of confinement on the solid-liquid coexistence of Lennard-Jones fluid. The Journal of Chemical Physics. 139: 174706. PMID 24206321 DOI: 10.1063/1.4827397  0.392
2013 Singh SK, Singh JK. A comparative study of critical temperature estimation of atomic fluid and chain molecules using fourth-order Binder cumulant and simplified scaling laws Molecular Simulation. 39: 154-156. DOI: 10.1080/08927022.2012.708755  0.346
2013 Singh SP, Singh JK, Sharma A. Adsorption of gas-like molecules to self-aligned square-well fluid channels under confinement of chemically patterned substrates Applied Nanoscience. 3: 179-187. DOI: 10.1007/S13204-012-0118-4  0.32
2013 Das CK, Singh JK. Melting transition of confined lennard-jones solids in slit pores Theoretical Chemistry Accounts. 132: 1-13. DOI: 10.1007/S00214-013-1351-Y  0.39
2012 Patra TK, Hens A, Singh JK. Vapor-liquid phase coexistence and transport properties of two-dimensional oligomers. The Journal of Chemical Physics. 137: 084701. PMID 22938253 DOI: 10.1063/1.4747195  0.357
2012 Khan S, Bhandary D, Singh JK. Surface phase transitions of multiple-site associating fluids Molecular Physics. 110: 1241-1248. DOI: 10.1080/00268976.2012.659224  0.739
2012 Srivastava R, Singh JK, Cummings PT. Effect of electric field on water confined in graphite and mica pores Journal of Physical Chemistry C. 116: 17594-17603. DOI: 10.1021/Jp304144S  0.336
2012 Boda A, De S, Ali SM, Tulishetti S, Khan S, Singh JK. From microhydration to bulk hydration of Sr2+ metal ion: DFT, MP2 and molecular dynamics study Journal of Molecular Liquids. 172: 110-118. DOI: 10.1016/J.Molliq.2012.05.006  0.331
2012 Dutta RC, Khan S, Singh JK. Corrigendum to: "Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study" [Fluid Phase Equilib. 302 (2011) 310-315] Fluid Phase Equilibria. 334: 205. DOI: 10.1016/J.Fluid.2012.08.018  0.378
2012 Huang HC, Singh JK, Lee JM, Kwak SK. Confining effect of carbon-nanotube configuration on phase behavior of hard-sphere fluid Fluid Phase Equilibria. 318: 19-24. DOI: 10.1016/J.Fluid.2011.12.028  0.556
2012 Metya AK, Hens A, Singh JK. Molecular dynamics study of vapor–liquid equilibria and transport properties of sodium and lithium based on EAM potentials Fluid Phase Equilibria. 313: 16-24. DOI: 10.1016/J.Fluid.2011.08.026  0.323
2011 Singh SP, Singh JK, Sharma A. Investigating bridge-like structures in a square-well binary mixture using NVT Monte Carlo simulation International Journal of Nanoscience. 10: 329-333. DOI: 10.1142/S0219581X11008034  0.372
2011 Singh SK, Khan S, Jana S, Singh JK. Vapour-liquid phase equilibria of simple fluids confined in patterned slit pores Molecular Simulation. 37: 350-360. DOI: 10.1080/08927022.2010.514778  0.375
2011 Khan S, Singh JK. Surface phase transition of associating fluids on functionalized surfaces Journal of Physical Chemistry C. 115: 17861-17869. DOI: 10.1021/Jp204025E  0.373
2011 Srivastava R, Docherty H, Singh JK, Cummings PT. Phase transitions of water in graphite and mica pores Journal of Physical Chemistry C. 115: 12448-12457. DOI: 10.1021/Jp2003563  0.369
2011 Singh SK, Singh JK. Effect of pore morphology on vapor-liquid phase transition and crossover behavior of critical properties from 3D to 2D Fluid Phase Equilibria. 300: 182-187. DOI: 10.1016/J.Fluid.2010.10.014  0.395
2011 Dutta RC, Khan S, Singh JK. Wetting transition of water on graphite and boron-nitride surfaces: A molecular dynamics study Fluid Phase Equilibria. 302: 310-315. DOI: 10.1016/J.Fluid.2010.07.006  0.385
2010 Huang HC, Chen WW, Singh JK, Kwak SK. Direct determination of fluid-solid coexistence of square-well fluids confined in narrow cylindrical hard pores. The Journal of Chemical Physics. 132: 224504. PMID 20550405 DOI: 10.1063/1.3429741  0.546
2010 Khan S, Singh JK. Prewetting transitions of one site associating fluids. The Journal of Chemical Physics. 132: 144501. PMID 20405995 DOI: 10.1063/1.3382345  0.346
2010 Singh SK, Saha AK, Singh JK. Molecular simulation study of vapor-liquid critical properties of a simple fluid in attractive slit pores: crossover from 3D to 2D. The Journal of Physical Chemistry. B. 114: 4283-92. PMID 20218567 DOI: 10.1021/Jp9109942  0.394
2010 Singh SK, Singh JK, Kwak SK, Deo G. Phase transition and crossover behavior of colloidal fluids under confinement Chemical Physics Letters. 494: 182-187. DOI: 10.1016/J.Cplett.2010.06.005  0.578
2010 Cummings PT, Docherty H, Iacovella CR, Singh JK. Phase transitions in nanoconfined fluids: The evidence from simulation and theory Aiche Journal. 56: 842-848. DOI: 10.1002/Aic.12226  0.313
2009 Jana S, Singh JK, Kwak SK. Vapor-liquid critical and interfacial properties of square-well fluids in slit pores. The Journal of Chemical Physics. 130: 214707. PMID 19508087 DOI: 10.1063/1.3148884  0.588
2009 Huang HC, Kwak SK, Singh JK. Characterization of fluid-solid phase transition of hard-sphere fluids in cylindrical pore via molecular dynamics simulation. The Journal of Chemical Physics. 130: 164511. PMID 19405598 DOI: 10.1063/1.3120486  0.561
2009 Singh JK. Surface tension and vapour-liquid phase coexistence of variable-range hard-core attractive Yukawa fluids Molecular Simulation. 35: 880-887. DOI: 10.1080/08927020902787796  0.386
2009 Saha AK, Singh SP, Singh JK, Kwak SK. Quasi-2D and prewetting transitions of square-well fluids on a square-well substrate Molecular Physics. 107: 2189-2200. DOI: 10.1080/00268970903222165  0.567
2009 Singh SK, Sinha A, Deo G, Singh JK. Vapor-liquid phase coexistence, critical properties, and surface tension of confined alkanes Journal of Physical Chemistry C. 113: 7170-7180. DOI: 10.1021/Jp8073915  0.417
2009 Naresh DJ, Singh JK. Virial coefficients of hard-core attractive Yukawa fluids Fluid Phase Equilibria. 285: 36-43. DOI: 10.1016/J.Fluid.2009.06.019  0.323
2009 Naresh DJ, Singh JK. Virial coefficients and inversion curve of simple and associating fluids Fluid Phase Equilibria. 279: 47-55. DOI: 10.1016/J.Fluid.2009.01.015  0.329
2008 Kwak SK, Cahyana Y, Singh JK. Characterization of mono- and divacancy in fcc and hcp hard-sphere crystals. The Journal of Chemical Physics. 128: 134514. PMID 18397084 DOI: 10.1063/1.2889924  0.507
2008 Singh JK, Sarma G, Kwak SK. Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface. The Journal of Chemical Physics. 128: 044708. PMID 18247982 DOI: 10.1063/1.2824503  0.58
2008 Gazali P, Kwak SK, Singh JK. Interface mixing behaviour of Lennard-Jones FCC (100) thin film Molecular Physics. 106: 2417-2423. DOI: 10.1080/00268970802502527  0.542
2008 Kumar AN, Singh JK. The effects of interaction range, porosity and molecular association on the phase equilibrium of a fluid confined in a disordered porous media Molecular Physics. 106: 2277-2288. DOI: 10.1080/00268970802418963  0.362
2008 Kwak SK, Huang H, Singh JK. Structure, fluid-solid coexistence and phase transition of model fluids in cylindrical pore Aiche Annual Meeting, Conference Proceedings 0.466
2007 Benjamin KM, Singh JK, Schultz AJ, Kofke DA. Higher-order virial coefficients of water models. The Journal of Physical Chemistry. B. 111: 11463-73. PMID 17850128 DOI: 10.1021/Jp0710685  0.577
2007 Singh JK, Kwak SK. Surface tension and vapor-liquid phase coexistence of confined square-well fluid. The Journal of Chemical Physics. 126: 024702. PMID 17228961 DOI: 10.1063/1.2424460  0.591
2007 Kwak SK, Singh JK, Adhikari J. Molecular simulation study of vapor-liquid equilibrium of morse fluids Chemical Product and Process Modeling. 2. DOI: 10.2202/1934-2659.1097  0.703
2007 Singh JK, Adhikari J, Kwak SK. Interfacial properties of Morse fluids (Molecular Physics (2007) 105 (981)) Molecular Physics. 105: 2327. DOI: 10.1080/00268970701590193  0.626
2007 Singh JK, Adhikari J, Kwak SK. Interfacial properties of Morse fluids Molecular Physics. 105: 981-987. DOI: 10.1080/00268970701253149  0.674
2006 Singh JK, Errington JR. Calculation of phase coexistence properties and surface tensions of n-alkanes with grand-canonical transition-matrix monte carlo simulation and finite-size scaling. The Journal of Physical Chemistry. B. 110: 1369-76. PMID 16471687 DOI: 10.1021/Jp055170I  0.378
2006 Singh JK, Adhikari J, Kwak SK. Vapor-liquid phase coexistence curves for Morse fluids Fluid Phase Equilibria. 248: 1-6. DOI: 10.1016/J.Fluid.2006.07.010  0.671
2005 Singh JK, Kofke DA. Molecular simulation study of the effect of pressure on the vapor-liquid interface of the square-well fluid. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 4218-26. PMID 15835998 DOI: 10.1021/La0471947  0.606
2005 Singh JK, Kofke DA. Erratum: Mayer Sampling: Calculation of Cluster Integrals Using Free-Energy Perturbation Methods [Phys. Rev. Lett.92, 220601 (2004)] Physical Review Letters. 95. DOI: 10.1103/Physrevlett.95.249903  0.517
2005 Kwak SK, Singh JK. Bulk and interfacial properties of simple confined fluids Aiche Annual Meeting Conference Proceedings. 2005.  0.506
2004 Singh JK, Kofke DA. Molecular simulation study of effect of molecular association on vapor-liquid interfacial properties. The Journal of Chemical Physics. 121: 9574-80. PMID 15538879 DOI: 10.1063/1.1808118  0.605
2004 Singh JK, Kofke DA. Mayer sampling: calculation of cluster integrals using free-energy perturbation methods. Physical Review Letters. 92: 220601. PMID 15245206 DOI: 10.1103/Physrevlett.92.220601  0.544
2004 Singh JK, Kofke DA. Molecular simulation study of the vapor-liquid interfacial behavior of a dimer-forming associating fluid Molecular Simulation. 30: 343-351. DOI: 10.1080/08927020310001657108  0.622
2003 Singh JK, Kofke DA, Errington JR. Surface tension and vapor-liquid phase coexistence of the square-well fluid Journal of Chemical Physics. 119: 3405-3412. DOI: 10.1063/1.1590313  0.587
2003 Lu N, Singh JK, Kofke DA. Appropriate methods to combine forward and reverse free-energy perturbation averages Journal of Chemical Physics. 118: 2977-2984. DOI: 10.1063/1.1537241  0.661
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