| Year |
Citation |
Score |
| 2021 |
Balogun A, Lazarenko D, Khabaz F, Khare R. Extending the timescale of molecular simulations by using time-temperature superposition: rheology of ionic liquids. Soft Matter. 17: 7210-7220. PMID 34269781 DOI: 10.1039/d1sm00701g |
0.729 |
|
| 2020 |
Sundaravadivelu Devarajan D, Nourian P, McKenna GB, Khare R. Molecular simulation of nanocolloid rheology: Viscosity, viscoelasticity, and time-concentration superposition Journal of Rheology. 64: 529-543. DOI: 10.1122/1.5125142 |
0.385 |
|
| 2018 |
Khabaz F, Zhang Y, Xue L, Quitevis EL, Maginn EJ, Khare R. Temperature Dependence of Volumetric and Dynamic Properties of Imidazolium-Based Ionic Liquids. The Journal of Physical Chemistry. B. PMID 29397725 DOI: 10.1021/Acs.Jpcb.7B12236 |
0.751 |
|
| 2018 |
Khabaz F, Khare R. Molecular simulations of asphalt rheology: Application of time–temperature superposition principle Journal of Rheology. 62: 941-954. DOI: 10.1122/1.4996919 |
0.756 |
|
| 2018 |
Hossain N, Ravichandran A, Khare R, Chen C. Revisiting electrolyte thermodynamic models: Insights from molecular simulations Aiche Journal. 64: 3728-3734. DOI: 10.1002/AIC.16327 |
0.318 |
|
| 2017 |
Godbole RV, Khabaz F, Khare R, Hedden RC. Swelling of Random Copolymer Networks in Pure and Mixed Solvents: Multi-Component Flory-Rehner Theory. The Journal of Physical Chemistry. B. PMID 28742358 DOI: 10.1021/Acs.Jpcb.7B02194 |
0.694 |
|
| 2017 |
Khare R, Sundaravadivelu Devarajan D. Molecular simulations of nanocolloids Current Opinion in Chemical Engineering. 16: 86-91. DOI: 10.1016/J.COCHE.2017.04.008 |
0.306 |
|
| 2016 |
Habib T, Sundaravadivelu Devarajan D, Khabaz F, Parviz D, Achee TC, Khare R, Green MJ. Co-solvents as liquid surfactants for boron nitride nanosheet (BNNS) dispersions. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27740775 DOI: 10.1021/Acs.Langmuir.6B02611 |
0.707 |
|
| 2016 |
Khabaz F, Mani S, Khare R. Molecular Origins of Dynamic Coupling between Water and Hydrated Polyacrylate Gels Macromolecules. 49: 7551-7562. DOI: 10.1021/Acs.Macromol.6B00938 |
0.706 |
|
| 2016 |
Sirk TW, Karim M, Lenhart JL, Andzelm JW, Khare R. Bi-modal polymer networks: Viscoelasticity and mechanics from molecular dynamics simulation Polymer (United Kingdom). 90: 178-186. DOI: 10.1016/J.Polymer.2016.03.024 |
0.39 |
|
| 2015 |
Mani S, Khabaz F, Godbole RV, Hedden RC, Khare R. Structure and Hydrogen Bonding of Water in Polyacrylate Gels: Effects of Polymer Hydrophilicity and Water Concentration. The Journal of Physical Chemistry. B. PMID 26514915 DOI: 10.1021/Acs.Jpcb.5B08700 |
0.706 |
|
| 2015 |
Zhang Y, Xue L, Khabaz F, Doerfler R, Quitevis EL, Khare R, Maginn EJ. Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids. The Journal of Physical Chemistry. B. PMID 26505274 DOI: 10.1021/Acs.Jpcb.5B08245 |
0.709 |
|
| 2015 |
Khabaz F, Khare R. Glass Transition and Molecular Mobility in Styrene-Butadiene Rubber Modified Asphalt. The Journal of Physical Chemistry. B. 119: 14261-9. PMID 26451630 DOI: 10.1021/Acs.Jpcb.5B06191 |
0.76 |
|
| 2015 |
Bari R, Parviz D, Khabaz F, Klaassen CD, Metzler SD, Hansen MJ, Khare R, Green MJ. Liquid phase exfoliation and crumpling of inorganic nanosheets. Physical Chemistry Chemical Physics : Pccp. 17: 9383-93. PMID 25765970 DOI: 10.1039/C5Cp00294J |
0.695 |
|
| 2015 |
Khabaz F, Khare R. Glass Transition and Molecular Mobility in Styrene-Butadiene Rubber Modified Asphalt Journal of Physical Chemistry B. 119: 14261-14269. DOI: 10.1021/acs.jpcb.5b06191 |
0.759 |
|
| 2015 |
Sirk TW, Karim M, Khare KS, Lenhart JL, Andzelm JW, Khare R. Bi-modal polymer networks: Composition-dependent trends in thermal, volumetric and structural properties from molecular dynamics simulation Polymer (United Kingdom). 58: 199-208. DOI: 10.1016/J.Polymer.2014.12.057 |
0.779 |
|
| 2014 |
Khabaz F, Khare R. Effect of chain architecture on the size, shape, and intrinsic viscosity of chains in polymer solutions: a molecular simulation study. The Journal of Chemical Physics. 141: 214904. PMID 25481166 DOI: 10.1063/1.4902052 |
0.71 |
|
| 2014 |
Khare KS, Khabaz F, Khare R. Effect of carbon nanotube functionalization on mechanical and thermal properties of cross-linked epoxy-carbon nanotube nanocomposites: role of strengthening the interfacial interactions. Acs Applied Materials & Interfaces. 6: 6098-110. PMID 24606164 DOI: 10.1021/Am405317X |
0.733 |
|
| 2014 |
Khabaz F, Khare R. Effect of chain architecture on the size, shape, and intrinsic viscosity of chains in polymer solutions: A molecular simulation study Journal of Chemical Physics. 141. DOI: 10.1063/1.4902052 |
0.707 |
|
| 2014 |
Khabaz F, Khare KS, Khare R. Temperature dependence of creep compliance of highly cross-linked epoxy: A molecular simulation study Aip Conference Proceedings. 1599: 262-265. DOI: 10.1063/1.4876828 |
0.761 |
|
| 2013 |
Khare KS, Khare R. Effect of carbon nanotube dispersion on glass transition in cross-linked epoxy-carbon nanotube nanocomposites: role of interfacial interactions. The Journal of Physical Chemistry. B. 117: 7444-54. PMID 23691970 DOI: 10.1021/Jp401614P |
0.774 |
|
| 2013 |
Sirk TW, Khare KS, Karim M, Lenhart JL, Andzelm JW, McKenna GB, Khare R. High strain rate mechanical properties of a cross-linked epoxy across the glass transition Polymer (United Kingdom). 54: 7048-7057. DOI: 10.1016/J.Polymer.2013.10.051 |
0.789 |
|
| 2012 |
Soni NJ, Lin PH, Khare R. Effect of cross-linker length on the thermal and volumetric properties of cross-linked epoxy networks: A molecular simulation study Polymer (United Kingdom). 53: 1015-1019. DOI: 10.1016/j.polymer.2011.12.051 |
0.425 |
|
| 2012 |
Khare KS, Khare R. Directed diffusion approach for preparing atomistic models of crosslinked epoxy for use in molecular simulations Macromolecular Theory and Simulations. 21: 322-327. DOI: 10.1002/Mats.201100119 |
0.765 |
|
| 2011 |
Hegde GA, Chang JF, Chen YL, Khare R. Conformation and diffusion behavior of ring polymers in solution: a comparison between molecular dynamics, multiparticle collision dynamics, and lattice Boltzmann simulations. The Journal of Chemical Physics. 135: 184901. PMID 22088075 DOI: 10.1063/1.3656761 |
0.34 |
|
| 2010 |
Lin PH, Khare R. Local Chain dynamics and dynamic heterogeneity in cross-linked epoxy in the vicinity of glass transition Macromolecules. 43: 6505-6510. DOI: 10.1021/ma100752c |
0.396 |
|
| 2010 |
Lin PH, Khare R. Glass transition and structural properties of glycidyloxypropyl-heptaphenyl polyhedral oligomeric silsesquioxane-epoxy nanocomposites: A molecular simulation study Journal of Thermal Analysis and Calorimetry. 102: 461-467. DOI: 10.1007/s10973-010-0982-7 |
0.391 |
|
| 2009 |
Lin PH, Khare R. Molecular simulation of cross-linked epoxy and epoxy-POSS nanocomposite Macromolecules. 42: 4319-4327. DOI: 10.1021/ma9004007 |
0.39 |
|
| 2008 |
Kohale SC, Khare R. Shear induced chain migration in flowing polymeric solutions: A molecular dynamics study Aip Conference Proceedings. 1027: 558-560. DOI: 10.1063/1.2964764 |
0.312 |
|
| 2006 |
Khare R, Graham MD, de Pablo JJ. Cross-stream migration of flexible molecules in a nanochannel. Physical Review Letters. 96: 224505. PMID 16803314 DOI: 10.1103/PhysRevLett.96.224505 |
0.332 |
|
| 2001 |
Khare R, De Pablo J, Yethiraj A. Molecular simulation and continuum mechanics investigation of viscoelastic properties of fluids confined to molecularly thin films Journal of Chemical Physics. 114: 7593-7601. DOI: 10.1063/1.1361077 |
0.325 |
|
| 2000 |
Garde S, Khare R, Hummer G. Microscopic density fluctuations and solvation in polymeric fluids The Journal of Chemical Physics. 112: 1574-1578. DOI: 10.1063/1.480705 |
0.619 |
|
| 1997 |
Khare R, De Pablo J, Yethiraj A. Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear Journal of Chemical Physics. 107: 6956-6964. DOI: 10.1063/1.474935 |
0.369 |
|
| 1997 |
Khare R, De Pablo J, Yethiraj A. Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows Journal of Chemical Physics. 107: 2589-2596. DOI: 10.1063/1.474570 |
0.304 |
|
| 1996 |
Khare R, De Pablo JJ, Yethiraj A. Rheology of confined polymer melts Macromolecules. 29: 7910-7918. DOI: 10.1021/Ma960083X |
0.342 |
|
| 1994 |
Khare R, Paulaitis ME. Molecular simulations of cooperative ring flip motions in single chains of polystyrene Chemical Engineering Science. 49: 2867-2879. DOI: 10.1016/0009-2509(94)E0105-Y |
0.575 |
|
| 1993 |
Khare R, Paulaitis ME, Lustig SR. Generation of glass structures for molecular simulations of polymers containing large monomer units: application to polystyrene Macromolecules. 26: 7203-7209. DOI: 10.1021/Ma00078A014 |
0.355 |
|
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