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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