| 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 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 1997 |
Xu Z, Khare R, de Pablo JJ, Kim S. On the calculation of transport properties of polymer melts from nonequilibrium molecular dynamics The Journal of Chemical Physics. 106: 8285-8286. DOI: 10.1063/1.473830 |
0.298 |
|
| 2020 |
Ravichandran A, Tun H, Khare R, Chen C. Prediction of thermodynamic properties of organic mixtures: Combining molecular simulations with classical thermodynamics Fluid Phase Equilibria. 523: 112759. DOI: 10.1016/j.fluid.2020.112759 |
0.297 |
|
| 2018 |
Ravichandran A, Chen CC, Khare R. Prediction of χ Parameter of Polymer Blends by Combining Molecular Simulations and Integral Equation Theory. The Journal of Physical Chemistry. B. PMID 30160488 DOI: 10.1021/acs.jpcb.8b06684 |
0.292 |
|
| 2008 |
Alexiadis O, Mavrantzas VG, Khare R, Beckers J, Baljon ARC. End-Bridging Monte Carlo Simulation of Bulk and Grafted Amorphous Polyethylene Above and Below the Glass Transition Macromolecules. 41: 987-996. DOI: 10.1021/MA071173C |
0.274 |
|
| 2016 |
Karim M, Indei T, Schieber JD, Khare R. Determination of linear viscoelastic properties of an entangled polymer melt by probe rheology simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 93: 012501. PMID 26871112 DOI: 10.1103/Physreve.93.012501 |
0.273 |
|
| 2012 |
Karim M, Kohale SC, Indei T, Schieber JD, Khare R. Determination of viscoelastic properties by analysis of probe-particle motion in molecular simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 86: 051501. PMID 23214783 DOI: 10.1103/Physreve.86.051501 |
0.266 |
|
| 2004 |
Baljon AR, Billen J, Khare R. Percolation of immobile domains in supercooled thin polymeric films. Physical Review Letters. 93: 255701. PMID 15697910 DOI: 10.1103/Physrevlett.93.255701 |
0.265 |
|
| 2008 |
Kohale SC, Khare R. Molecular simulation of cooperative hydrodynamic effects in motion of a periodic array of spheres between parallel walls. The Journal of Chemical Physics. 129: 164706. PMID 19045297 DOI: 10.1063/1.3000398 |
0.261 |
|
| 2006 |
Khare R, Keblinski P, Yethiraj A. Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip International Journal of Heat and Mass Transfer. 49: 3401-3407. DOI: 10.1016/J.Ijheatmasstransfer.2006.03.005 |
0.254 |
|
| 2019 |
Saravi SH, Ravichandran A, Khare R, Chen C. Bridging two-liquid theory with molecular simulations for electrolytes: An investigation of aqueous NaCl solution Aiche Journal. 65: 1315-1324. DOI: 10.1002/AIC.16521 |
0.25 |
|
| 2018 |
Ravichandran A, Khare R, Chen C. Predicting NRTL binary interaction parameters from molecular simulations Aiche Journal. 64: 2758-2769. DOI: 10.1002/AIC.16117 |
0.237 |
|
| 2011 |
Peri S, Nazmul Karim M, Khare R. Potential of mean force for separation of the repeating units in cellulose and hemicellulose Carbohydrate Research. 346: 867-871. PMID 21388614 DOI: 10.1016/j.carres.2011.01.008 |
0.232 |
|
| 2008 |
Kohale SC, Khare R. Molecular hydrodynamics in nanoparticle suspensions Aip Conference Proceedings. 1027: 644-646. DOI: 10.1063/1.2964794 |
0.23 |
|
| 2011 |
Lin PH, Kohale SC, Khare R. Effect of nanoconfinement on kinetics of cross-linking reactions: a molecular simulation study. The Journal of Physical Chemistry. B. 115: 12348-55. PMID 21978191 DOI: 10.1021/jp2038398 |
0.226 |
|
| 1995 |
Khare R, Paulaitis ME. A Study of Cooperative Phenyl Ring Flip Motions in Glassy Polystyrene by Molecular Simulations Macromolecules. 28: 4495-4504. DOI: 10.1021/MA00117A018 |
0.226 |
|
| 2011 |
Lin PH, Kohale SC, Khare R. Effect of nanoconfinement on kinetics of cross-linking reactions: A molecular simulation study Journal of Physical Chemistry B. 115: 12348-12355. DOI: 10.1021/jp2038398 |
0.225 |
|
| 2002 |
Wroblewski DE, Khare R, Gevelber M. Solidification modeling of plasma sprayed TBC: Analysis of remelt and multiple length scales of rough substrates Journal of Thermal Spray Technology. 11: 266-275. DOI: 10.1361/105996302770348934 |
0.223 |
|
| 2009 |
Kohale SC, Khare R. Cross stream chain migration in nanofluidic channels: Effects of chain length, channel height, and chain concentration. The Journal of Chemical Physics. 130: 104904. PMID 19292556 DOI: 10.1063/1.3078798 |
0.219 |
|
| 2004 |
Khare R, Sum AK, Nath SK, de Pablo JJ. Simulation of Vapor−Liquid Phase Equilibria of Primary Alcohols and Alcohol−Alkane Mixtures The Journal of Physical Chemistry B. 108: 10071-10076. DOI: 10.1021/Jp048144D |
0.216 |
|
| 1999 |
Khare R, de Pablo J, Yethiraj A. Response to “Comment on ‘Molecular simulation and continuum mechanics study of simple fluids in nonisothermal planar Couette flows’ ” [J. Chem. Phys. 111, 10730 (1999)] The Journal of Chemical Physics. 111: 10732-10733. DOI: 10.1063/1.480429 |
0.212 |
|
| 2018 |
Mani S, Khare R. Effect of Chain Flexibility and Interlayer Interactions on the Local Dynamics of Layered Polymer Systems Macromolecules. 51: 576-588. DOI: 10.1021/ACS.MACROMOL.7B01519 |
0.211 |
|
| 2021 |
Islam R, Mani S, Khare R. Chain and Solvent Dynamics in Polymer Membrane Films Supported on a Polymeric Substrate Acs Applied Polymer Materials. 3: 3164-3174. DOI: 10.1021/ACSAPM.1C00360 |
0.201 |
|
| 2018 |
Laal Dehghani N, Khare R, Christopher GF. 2D Stokesian Approach to Modeling Flow Induced Deformation of Particle Laden Interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 34: 904-916. PMID 28877439 DOI: 10.1021/acs.langmuir.7b02448 |
0.183 |
|
| 2021 |
Nourian P, Islam R, Khare R. Implementation of active probe rheology simulation technique for determining the viscoelastic moduli of soft matter Journal of Rheology. 65: 617-632. DOI: 10.1122/8.0000071 |
0.175 |
|
| 2012 |
Peri S, Muthukumar L, Nazmul Karim M, Khare R. Dynamics of cello-oligosaccharides on a cellulose crystal surface Cellulose. 19: 1791-1806. DOI: 10.1007/s10570-012-9771-8 |
0.175 |
|
| 2013 |
Muthukumar L, Khare R. Molecular dynamics simulation of free energy of desorption of cellohexaose from a cellulose crystal surface Acs Symposium Series. 1133: 1-17. DOI: 10.1021/bk-2013-1133.ch001 |
0.171 |
|
| 2005 |
Baljon ARC, Van Weert MHM, DeGraaff RB, Khare R. Glass Transition Behavior of Polymer Films of Nanoscopic Dimensions Macromolecules. 38: 2391-2399. DOI: 10.1021/MA048819A |
0.17 |
|
| 2021 |
Sami SN, Islam R, Khare R, Joshi RP. Simulations of hydrogen outgassing from a carbon fiber electrode Journal of Applied Physics. 129: 213303. DOI: 10.1063/5.0054440 |
0.158 |
|
| 2007 |
Lin PH, Khare R, Weeks BL, Gee RH. Molecular modeling of diffusion on a crystalline pentaerythritol tetranitrate surface Applied Physics Letters. 91. DOI: 10.1063/1.2783206 |
0.155 |
|
| 2010 |
Kohale SC, Khare R. Molecular dynamics simulation study of friction force and torque on a rough spherical particle. The Journal of Chemical Physics. 132: 234706. PMID 20572733 DOI: 10.1063/1.3436525 |
0.148 |
|
| 2008 |
Khare R, Nazarenko S. Journal of Polymer Science, Part B: Polymer Physics: Introduction Journal of Polymer Science, Part B: Polymer Physics. 46: 2645-2646. DOI: 10.1002/Polb.21625 |
0.144 |
|
| 2009 |
Basu SN, Ye G, Khare R, McCandless B, Gevelber M, Wroblewski D. Dependence of splat remelt and stress evolution on surface roughness length scales in plasma sprayed thermal barrier coatings International Journal of Refractory Metals and Hard Materials. 27: 479-484. DOI: 10.1016/J.Ijrmhm.2008.11.012 |
0.124 |
|
| 2019 |
Fogel AL, Ravichandran A, Mani S, Upadhyay B, Khare R, Morgan SE. Water structure and mobility in acrylamide copolymer glycohydrogels with galactose and siloxane pendant groups Journal of Polymer Science Part B: Polymer Physics. 57: 584-597. DOI: 10.1002/POLB.24815 |
0.118 |
|
| 2007 |
Kohale S, Molina SM, Weeks BL, Khare R, Hope-Weeks LJ. Monitoring the formation of self-assembled monolayers of alkanedithiols using a micromechanical cantilever sensor. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 1258-63. PMID 17241042 DOI: 10.1021/la062441n |
0.097 |
|
| 2001 |
Nath SK, Khare R. New forcefield parameters for branched hydrocarbons Journal of Chemical Physics. 115: 10837-10844. DOI: 10.1063/1.1418731 |
0.045 |
|
| 2023 |
Awasthi R, Manger PT, Khare RK. Fok I and Bsm I gene polymorphism of vitamin D receptor and essential hypertension: a mechanistic link. Clinical Hypertension. 29: 5. PMID 36788562 DOI: 10.1186/s40885-022-00229-y |
0.023 |
|
| 1978 |
Tripathi ND, Shanker K, Khare RP. The Anderson‐Grüneisen parameter for 16 crystals of cubic symmetry Journal of Applied Physics. 49: 4282-4283. DOI: 10.1063/1.325348 |
0.016 |
|
| Hide low-probability matches. |