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Mondal J, Yethiraj A. Effect of secondary structure on the self-assembly of amphiphilic molecules: A multiscale simulation study. Journal of Chemical Physics. 2012;136. |
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Park S, Zhu X, Yethiraj A. Atomistic Simulations of Dilute Polyelectrolyte Solutions. Journal of Physical Chemistry B. 2012;116:4319-4327. |
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Wu Z, Cui Q, Yethiraj A. Driving Force for the Association of Hydrophobic Peptides: The Importance of Electrostatic Interactions in Coarse-Grained Water Models. Journal of Physical Chemistry Letters. 2011;2:1794-1798. |
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Wu Z, Cui Q, Yethiraj A. A New Coarse-Grained Force Field for Membrane-Peptide Simulations. Journal of Chemical Theory and Computation. 2011;7:3793-3802. |
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Frischknecht AL, Yethiraj A. Two- and three-body interactions among nanoparticles in a polymer melt. Journal of Chemical Physics. 2011;134. |
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Jung HT, Sung BJ, Yethiraj A. The Influence of the Polymer Chain Stiffness on Tracer Diffusion in Polymeric Matrices. Journal of Polymer Science Part B-Polymer Physics. 2011;49:818-825. |
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Kim JS, Yethiraj A. Crowding Effects on Protein Association: Effect of Interactions between Crowding Agents. Journal of Physical Chemistry B. 2011;115:347-353. |
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Mondal J, Yethiraj A. Driving Force for the Association of Amphiphilic Molecules. Journal of Physical Chemistry Letters. 2011;2:2391-2395. |
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Mondal J, Bratton BP, Li Y, Yethiraj A, Weisshaar JC. Entropy-Based Mechanism of Ribosome-Nucleoid Segregation in E. coli Cells. Biophysical Journal. 2011;100:2605-2613. |
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Mondal J, Zhu X, Cui Q, Yethiraj A. Self-Assembly of beta-Peptides: Insight from the Pair and Many-Body Free Energy of Association. Journal of Physical Chemistry C. 2010;114:13551-13556. |
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Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-Dependent Interaction of beta-Peptides with Membranes. Journal of Physical Chemistry B. 2010;114:13585-13592. |
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Wu Z, Cui Q, Yethiraj A. A New Coarse-Grained Model for Water: The Importance of Electrostatic Interactions. Journal of Physical Chemistry B. 2010;114:10524-10529. |
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Zhu X, Koenig P, Hoffmann M, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for beta- and alpha/beta-Peptides. III. Molecular Mechanical Model for Acyclic beta-Amino Acids. Journal of Computational Chemistry. 2010;31:2063-2077. |
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Kim JS, Yethiraj A. Crowding Effects on Association Reactions at Membranes. Biophysical Journal. 2010;98:951-958. |
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Mondal J, Sung BJ, Yethiraj A. Sequence dependent self-assembly of beta-peptides: Insights from a coarse-grained model. Journal of Chemical Physics. 2010;132. |
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Reddy G, Yethiraj A. Solvent effects in polyelectrolyte adsorption: Computer simulations with explicit and implicit solvent. Journal of Chemical Physics. 2010;132. |
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Sung BJ, Yethiraj A. Structure of void space in polymer solutions. Physical Review E. 2010;81. |
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Ma L, Yethiraj A, Chen X, Cui Q. A Computational Framework for Mechanical Response of Macromolecules: Application to the Salt Concentration Dependence of DNA Bendability. Biophysical Journal. 2009;96:3543-3554. |
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Tang Y, Chen X, Yoo J, Yethiraj A, Cui Q. Numerical Simulation of Nanoindentation and Patch Clamp Experiments on Mechanosensitive Channels of Large Conductance in Escherichia coli. Experimental Mechanics. 2009;49:35-46. |
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Kim JS, Damodaran S, Yethiraj A. Retardation of Ice Crystallization by Short Peptides. Journal of Physical Chemistry A. 2009;113:4403-4407. |
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Kim JS, Yethiraj A. Effect of Macromolecular Crowding on Reaction Rates: A Computational and Theoretical Study. Biophysical Journal. 2009;96:1333-1340. |
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Mondal J, Sung BJ, Yethiraj A. Sequence-Directed Organization of beta-Peptides in Self-Assembled Monolayers. Journal of Physical Chemistry B. 2009;113:9379-9385. |
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Sung BJ, Chang RW, Yethiraj A. Swelling of polymers in porous media. Journal of Chemical Physics. 2009;130. |
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Sung BJ, Yethiraj A. Computer Simulations of Protein Diffusion in Compartmentalized Cell Membranes. Biophysical Journal. 2009;97:472-479. |
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Yethiraj A. Liquid State Theory of Polyelectrolyte Solutions. Journal of Physical Chemistry B. 2009;113:1539-1551. |
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Chen X, Cui Q, Tang Y, Yoo J, Yethiraj A. Gating mechanisms of mechanosensitive channels of large conductance, I: A continuum mechanics-based hierarchical framework. Biophysical Journal. 2008;95:563-580. |
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Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Gating mechanisms of mechanosensitive channels of large conductance, II: Systematic study of conformational transitions. Biophysical Journal. 2008;95:581-596. |
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Tang YY, Yoo J, Yethiraj A, Cui Q, Chen X. Mechanosensitive channels: Insights from continuum-based simulations. Cell Biochemistry and Biophysics. 2008;52:1-18. |
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Pizzey CL, Pomerantz WC, Sung B-J, Yuwono VM, Gellman SH, Hartgerink JD, et al. Characterization of nanofibers formed by self-assembly of beta-peptide oligomers using small angle x-ray scattering. Journal of Chemical Physics. 2008;129. |
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Chang W-S, Link S, Yethiraj A, Barbara PF. Single molecule spectroscopy of conjugated polymer chains in an electric field-aligned liquid crystal. Journal of Physical Chemistry B. 2008;112:448-453. |
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Kim JS, Yethiraj A. A diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. Journal of Physical Chemistry B. 2008;112:1729-1735. |
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Kim JS, Yethiraj A. The effect of salt on the melting of ice: A molecular dynamics simulation study. Journal of Chemical Physics. 2008;129. |
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Padmanabhan V, Kumar SK, Yethiraj A. Phase behavior of semiflexible polymer chains. Journal of Chemical Physics. 2008;128. |
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Sung BJ, Yethiraj A. Lateral diffusion of proteins in the plasma membrane: Spatial tessellation and percolation theory. Journal of Physical Chemistry B. 2008;112:143-149. |
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Sung BJ, Yethiraj A. The effect of matrix structure on the diffusion of fluids in porous media. Journal of Chemical Physics. 2008;128. |
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Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue. The Journal of Physical Chemistry B [Internet]. 2008;112:5439-5448. Available from: http://pubs.acs.org/doi/abs/10.1021/jp077601y |
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Tang Y, Yoo J, Yethiraj A, Cui Q, Chen X. Gating Mechanisms of Mechanosensitive Channels of Large Conductance, II: Systematic Study of Conformational Transitions. Biophysical Journal. 2008;95:581 - 596. |
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Chen X, Cui Q, Tang Y, Yoo J, Yethiraj A. Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework. Biophysical Journal. 2008;95:563 - 580. |
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Zhu X, Yethiraj A, Cui Q. Establishing effective simulation protocols for beta- and alpha/beta-mixed peptides. I. QM and QM/MM models. Journal of Chemical Theory and Computation. 2007;3:1538-1549. |
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Barbara PF, Chang WS, Link S, Scholes GD, Yethiraj A. Structure and dynamics of conjugated polymers in liquid crystalline solvents. Annual Review of Physical Chemistry. 2007;58:565-584. |
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Chang R, Yethiraj A. Structure and dynamics of short chain molecules in disordered porous materials: A molecular dynamics simulation study. Journal of Chemical Physics. 2007;126. |
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Moorthy J, Burgess R, Yethiraj A, Beebe D. Microfluidic based platform for characterization of protein interactions in hydrogel nanoenvironments. Analytical Chemistry. 2007;79:5322-5327. |
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Sung BJ, Yethiraj A. Permeation of a hard sphere fluid into a quenched matrix. Journal of Chemical Physics. 2007;126. |
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Yethiraj A, Weisshaar JC. Why are lipid rafts not observed in vivo?. Biophys J. 2007;93(9):3113-9. |
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Chang RW, Yethiraj A. Solvent effects on the collapse dynamics of polymers. Journal of Chemical Physics. 2006;39:821-828. |
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Chang RW, Yethiraj A. Dynamics of chain molecules in disordered materials. Physical Review Letters. 2006;9610. |
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Jagannathan K, Sung BJ, Yethiraj A. Dynamics of probes in model glassy matrices. Physical Review Letters. 2006;97. |
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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. 2006;49:3401. |
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Link S, Chang WS, Yethiraj A, Barbara PF. Orthogonal orientations for solvation of polymer molecules in smectic solvents - art. no. 017801. Physical Review Letters. 2006;9601:7801. |
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Link S, Chang WS, Yethiraj A, Barbara PF. Anisotropic diffusion of elongated and aligned polymer chains in a nematic solvent. Journal of Physical Chemistry B. 2006;110:19799. |
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Reddy G, Chang RW, Yethiraj A. Adsorption and dynamics of a single polyelectrolyte chain near a planar charged surface: Molecular dynamics simulations with explicit solvent. Journal of Chemical Theory & Computation. 2006;2:630-636. |
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Reddy G, Yethiraj A. Implicit and explicit solvent models for the simulation of dilute polymer solutions. Macromolecules. 2006;39:8536. |
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Sung BJ, Yethiraj A. Lateral diffusion and percolation in membranes. Physical Review Letters. 2006;96. |
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Tang Y, Cao G, Chen X, Yoo J, Yethiraj A, Cui Q. A finite element framework for studying the mechanical response of macromolecules: application to the gating of the mechanosensitive channel MscL. Biophys J. 2006;91(4):1248-63. |
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Egorov SA, Yethiraj A, Skinner JL. Local density enhancement in dilute supercritical solutions. Chemical Physics Letters. 2000;317:558-566. |
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Patra CN, Yethiraj A. Density functional theory for the nonspecific binding of salt to polyelectrolytes: Thermodynamic properties. Biophysical Journal. 2000;78:699-706. |
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Patra CN, Yethiraj A. Generalized van der Waals density functional theory for nonuniform polymers. Journal of Chemical Physics. 2000;112:1579-1584. |
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Shew CY, Yethiraj A. Self-consistent integral equation theory for semiflexible chain polyelectrolyte solutions. Journal of Chemical Physics. 2000;113:8841-8847. |
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Yethiraj A. Integral equation theory for the surface segregation from blends of linear and star polymers. Computational and Theoretical Polymer Science. 2000;10:115-123. |
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Yethiraj A, Stell G. An integral equation theory for the Widom-Rowlinson mixture. Journal of Statistical Physics. 2000;100:39-47. |
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Khare R, dePablo 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). Journal of Chemical Physics. 1999;111:10732-10733. |
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Patra CN, Yethiraj A. Density functional theory for the distribution of small ions around polyions. Journal of Physical Chemistry B. 1999;103:6080-6087. |
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Patra CN, Yethiraj A, Curro JG. The effect of attractions on the structure of fused sphere chains confined between surfaces. Journal of Chemical Physics. 1999;111:1608-1614. |
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Shew CY, Yethiraj A. Computer simulations and integral equation theory for the structure of salt-free rigid rod polyelectrolyte solutions: Explicit incorporation of counterions. Journal of Chemical Physics. 1999;110:11599-11607. |
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Shew CY, Yethiraj A. Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions. Journal of Chemical Physics. 1999;110:5437-5443. |
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Shew CY, Yethiraj A. Conformational properties of isolated polyelectrolytes in poor solvents. Journal of Chemical Physics. 1999;110:676-681. |
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Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions. Journal of Chemical Physics. 1999;111:1797-1800. |
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Yethiraj A. Molecular modeling of polymers at surfaces. Chemical Engineering Journal. 1999;74:109-115. |
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Ni HH, Yethiraj A, Anderson C, Record MT. Molecular and thermodynamic properties of DNA solutions containing mixed NaCl and MgCl2: Comparison of theories with experiments. Biophysical Journal. 1998;74:A283-A283. |
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Curro JG, Weinhold JD, McCoy JD, Yethiraj A. The structure of amorphous polymers near surfaces: athermal systems. Computational and Theoretical Polymer Science. 1998;8:159-168. |
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Fynewever H, Yethiraj A. Phase behavior of semiflexible tangent hard sphere chains. Journal of Chemical Physics. 1998;108:1636-1644. |
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Shew CY, Yethiraj A. Ion binding in tobacco mosaic virus solutions. Journal of Chemical Physics. 1998;109:5162-5163. |
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Yethiraj A. Density functional theory of polymers: A Curtin-Ashcroft type weighted density approximation. Journal of Chemical Physics. 1998;109:3269-3275. |
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Yethiraj A. Theory for chain conformations and static structure of dilute and semidilute polyelectrolyte solutions. Journal of Chemical Physics. 1998;108:1184-1192. |
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Yethiraj A, Fynewever H. Isotropic to nematic transition in semiflexible polymer melts. Molecular Physics. 1998;93:693-701. |
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Wen Y, Yethiraj A, Weisshaar JC. Excited state kinetics of neutral transition metal atoms by stimulated emission pumping: V*(3d(4)4s, a(4)D)+ hydrocarbons. Journal of Chemical Physics. 1997;106:5509-5525. |
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Khare R, dePablo J, Yethiraj A. Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear. Journal of Chemical Physics. 1997;107:6956-6964. |
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Khare R, dePablo J, Yethiraj A. Molecular simulation and continuum mechanics study of simple fluids in non-isothermal planar couette flows. Journal of Chemical Physics. 1997;107:2589-2596. |
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Shew CY, Yethiraj A. Integral equation theory of solutions of rigid polyelectrolytes. Journal of Chemical Physics. 1997;106:5706-5719. |
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Yethiraj A. Conformational properties and static structure factor of polyelectrolyte solutions. Physical Review Letters. 1997;78:3789-3792. |
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Yethiraj A. Weighted density approximation for polymer melts. In: Laird BB, Ross RB, Ziegler T. . 1996. p. 274-285. |
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Egorov SA, Stephens MD, Yethiraj A, Skinner JL. Structure and dynamics of infinitely dilute solutions. Molecular Physics. 1996;88:477-487. |
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Khare R, de Pablo JJ, Yethiraj A. Rheology of confined polymer melts. Macromolecules. 1996;29:7910-7918. |
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Shew CY, Yethiraj A. Phase behavior of the Widom-Rowlinson mixture. Journal of Chemical Physics. 1996;104:7665-7670. |
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Yethiraj A, Shew CY. Structure of polyelectrolyte solutions. Physical Review Letters. 1996;77:3937-3940. |
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Kumar SK, Yethiraj A, Schweizer KS, Leermakers FAM. THE EFFECTS OF LOCAL STIFFNESS DISPARITY ON THE SURFACE SEGREGATION FROM BINARY POLYMER BLENDS. Journal of Chemical Physics. 1995;103:10332-10346. |
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Phan S, Kierlik E, Rosinberg ML, Yethiraj A, Dickman R. PERTURBATION DENSITY-FUNCTIONAL THEORY AND MONTE-CARLO SIMULATIONS FOR THE STRUCTURE OF HARD TRIATOMIC FLUIDS IN SLITLIKE PORES. Journal of Chemical Physics. 1995;102:2141-2150. |
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Singh C, Schweizer KS, Yethiraj A. FLUCTUATION PHENOMENA IN STRUCTURALLY SYMMETRICAL POLYMER BLENDS. Journal of Chemical Physics. 1995;102:2187-2208. |
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Yethiraj A. MONTE-CARLO SIMULATIONS FOR THE EQUATION OF STATE OF ATHERMAL LINEAR ALKANES. Journal of Chemical Physics. 1995;102:6874-6880. |
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Yethiraj A. ENTROPIC AND ENTHALPIC SURFACE SEGREGATION FROM BLENDS OF BRANCHED AND LINEAR-POLYMERS. Physical Review Letters. 1995;74:2018-2021. |
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Yethiraj A, Curro JG, Rajasekaran JJ. THERMODYNAMICS AND LOCAL-STRUCTURE OF VINYL POLYMER MELTS. Journal of Chemical Physics. 1995;103:2229-2236. |
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Yethiraj A, Woodward CE. MONTE-CARLO DENSITY-FUNCTIONAL THEORY OF NONUNIFORM POLYMER MELTS. Journal of Chemical Physics. 1995;102:5499-5505. |
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Dickman R, Yethiraj A. POLYMER-INDUCED FORCES BETWEEN COLLOIDAL PARTICLES - A MONTE-CARLO SIMULATION. Journal of Chemical Physics. 1994;100:4683-4690. |
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Grayce CJ, Yethiraj A, Schweizer KS. LIQUID-STATE THEORY OF THE DENSITY-DEPENDENT CONFORMATION OF NONPOLAR LINEAR-POLYMERS. Journal of Chemical Physics. 1994;100:6857-6872. |
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Woodward CE, Yethiraj A. DENSITY-FUNCTIONAL THEORY FOR INHOMOGENEOUS POLYMER-SOLUTIONS. Journal of Chemical Physics. 1994;100:3181-3186. |
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Yethiraj A. EFFECT OF CHAIN STIFFNESS ON THE CONFORMATIONAL PROPERTIES, PAIR CORRELATIONS, AND EQUATION OF STATE OF POLYMER MELTS. Journal of Chemical Physics. 1994;101:9104-9112. |
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Yethiraj A. MONTE-CARLO SIMULATION OF SEMIFLEXIBLE HARD TRIATOMIC FLUIDS. Molecular Physics. 1994;82:957-972. |
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Yethiraj A. MONTE-CARLO SIMULATION OF CONFINED SEMIFLEXIBLE POLYMER MELTS. Journal of Chemical Physics. 1994;101:2489-2497. |
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Yethiraj A, Dickman R, Szamel G, Kierlik E, Rosinberg ML. LOCAL-STRUCTURE AND ORIENTATIONAL CORRELATIONS IN FLUIDS COMPOSED OF LINEAR TRIATOMIC-MOLECULES. Molecular Physics. 1994;82:937-955. |
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Hall CK, Yethiraj A, Wichert JM. EQUATIONS OF STATE FOR SQUARE-WELL CHAIN FLUIDS USING THE GENERALIZED FLORY APPROACH. Fluid Phase Equilibria. 1993;83:313-322. |
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Yethiraj A, Hall CK. MONTE-CARLO SIMULATIONS AND INTEGRAL-EQUATION THEORY FOR MICROSCOPIC CORRELATIONS IN POLYMERIC FLUIDS. Journal of Chemical Physics. 1992;96:797-807. |
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Yethiraj A, Hall CK, Dickman R. INTERACTION BETWEEN COLLOIDS IN SOLUTIONS CONTAINING DISSOLVED POLYMER. Journal of Colloid and Interface Science. 1992;151:102-117. |
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Yethiraj A, Honnell KG, Hall CK. MONTE-CARLO CALCULATION OF THE OSMOTIC 2ND VIRIAL-COEFFICIENT OF OFF-LATTICE ATHERMAL POLYMERS. Macromolecules. 1992;25:3979-3983. |
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Yethiraj A, Hall CK. GENERALIZED FLORY EQUATIONS OF STATE FOR SQUARE-WELL CHAINS. Journal of Chemical Physics. 1991;95:8494-8506. |
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Yethiraj A, Hall CK. INTEGRAL-EQUATION THEORY FOR THE ADSORPTION OF CHAIN FLUIDS IN SLITLIKE PORES. Journal of Chemical Physics. 1991;95:3749-3755. |
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Yethiraj A, Hall CK. SQUARE-WELL CHAINS - BULK EQUATION OF STATE USING PERTURBATION-THEORY AND MONTE-CARLO SIMULATIONS OF THE BULK PRESSURE AND OF THE DENSITY PROFILES NEAR WALLS. Journal of Chemical Physics. 1991;95:1999-2005. |
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Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF THE EQUILIBRIUM PARTITIONING OF CHAIN FLUIDS BETWEEN A BULK AND A PORE. Molecular Physics. 1991;73:503-515. |
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Yethiraj A, Hall CK. EQUATIONS OF STATE FOR STAR POLYMERS. Journal of Chemical Physics. 1991;94:3943-3948. |
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Yethiraj A, Hall CK. SQUARE-WELL DIATOMICS - BULK EQUATION OF STATE, DENSITY PROFILES NEAR WALLS, VIRIAL-COEFFICIENTS AND COEXISTENCE PROPERTIES. Molecular Physics. 1991;72:619-641. |
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Yethiraj A, Hall CK. BEHAVIOR OF STARLIKE POLYMERS BETWEEN WALLS. Macromolecules. 1991;24:709-713. |
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Yethiraj A, Hall CK. LOCAL-STRUCTURE OF FLUIDS CONTAINING CHAIN-LIKE MOLECULES - POLYMER REFERENCE INTERACTION SITE MODEL WITH A YUKAWA CLOSURE. Journal of Chemical Physics. 1990;93:5315-5321. |
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Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF POLYMERS CONFINED BETWEEN FLAT PLATES. Macromolecules. 1990;23:1865-1872. |
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Yethiraj A, Hall CK, Honnell KG. SITE-SITE CORRELATIONS IN SHORT CHAIN FLUIDS. Journal of Chemical Physics. 1990;93:4453-4461. |
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Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF HARD CHAIN HARD SPHERE MIXTURES IN SLITLIKE PORES. Journal of Chemical Physics. 1989;91:4827-4837. |
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Yethiraj A, Kuszta B, Smith CB. IDENTIFICATION AND FEEDBACK-CONTROL OF NONLINEAR-SYSTEMS. Chemical Engineering Communications. 1988;71:1-22. |
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Yethiraj A, Sivakumar S, Chidambaram M, Shankar HS. ANALYSIS OF TRANSPORT REACTORS FOR CATALYTIC CRACKING - COMPARISON OF VERTICAL UPFLOW, DOWNFLOW AND HORIZONTAL REACTORS. Hungarian Journal of Industrial Chemistry. 1987;15:323-332. |
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Yethiraj A, Smith CB. NONLINEAR FEEDBACK-CONTROL OF A CLASS OF NONLINEAR-SYSTEMS. Electronics Letters. 1987;23:18-20. |
