All Faculty and Research Staff Publications

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2003
Chang R, Yethiraj A. The behavior of salt-free polyelectrolyte solutions at charged surfaces. Progress in Organic Coatings. 2003 ;47:331-336.
Chang RW, Yethiraj A. Brownian dynamics simulations of polyelectrolyte solutions with divalent counterions. Journal of Chemical Physics. 2003 ;118:11315-11325.
Yethiraj A. Computer simulation study of two-dimensional polymer solutions. Macromolecules. 2003 ;36:5854-5862.
Patra CN, Yethiraj A. Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions. Journal of Chemical Physics. 2003 ;118:4702-4706.
Reddy G, Lawrence CP, Skinner JL, Yethiraj A. Liquid state theories for the structure of water. Journal of Chemical Physics. 2003 ;119:13012-13016.
Sung BJ, Yethiraj A. Monte Carlo simulations and integral equation theory for the structure of telechelic polymers. Journal of Chemical Physics. 2003 ;119:6916-6924.
Jagannathan K, Yethiraj A. Monte Carlo simulations for the phase behavior of symmetric nonadditive hard sphere mixtures. Journal of Chemical Physics. 2003 ;118:7907-7911.
Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 2003 ;118:3904-3905.
Muller M, MacDowell LG, Yethiraj A. Short chains at surfaces and interfaces: A quantitative comparison between density-functional theories and Monte Carlo simulations. Journal of Chemical Physics. 2003 ;118:2929-2940.
Chang RW, Yethiraj A. Strongly charged flexible polyelectrolytes in poor solvents: Molecular dynamics simulations with explicit solvent. Journal of Chemical Physics. 2003 ;118:6634-6647.
2001
Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids. Journal of Chemical Physics. 2001 ;114:4323-4330.
Shew CY, Yethiraj A. The effect of acid-base equilibria on the fractional charge and conformational properties of polyelectrolyte solutions. Journal of Chemical Physics. 2001 ;114:2830-2838.
Srinivas G, Yethiraj A, Bagchi B. Erratum: "Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain" (vol 114, pg 9170, 2001). Journal of Chemical Physics. 2001 ;115:6268-6268.
Srinivas G, Yethiraj A, Bagchi B. FRET by FET and dynamics of polymer folding. Journal of Physical Chemistry B. 2001 ;105:2475-2478.
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. 2001 ;114:7593-7601.
Srinivas G, Yethiraj A, Bagchi B. Nonexponentiality of time dependent survival probability and the fractional viscosity dependence of the rate in diffusion controlled reactions in a polymer chain. Journal of Chemical Physics. 2001 ;114:9170-9178.
Chang RW, Yethiraj A. Solvent effects on the collapse dynamics of polymers. Journal of Chemical Physics. 2001 ;114:7688-7699.
Kalyuzhnyi YV, Lin CT, Stell G, Yethiraj A. Structural and thermodynamic properties of a freely-jointed Yukawa hard-sphere chain fluid. Journal of Molecular Liquids. 2001 ;92:85-96.
1999
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.
Shew CY, Yethiraj A. Conformational properties of isolated polyelectrolytes in poor solvents. Journal of Chemical Physics. 1999 ;110:676-681.
Patra CN, Yethiraj A. Density functional theory for the distribution of small ions around polyions. Journal of Physical Chemistry B. 1999 ;103:6080-6087.
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.
Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions. Journal of Chemical Physics. 1999 ;111:1797-1800.
Yethiraj A. Molecular modeling of polymers at surfaces. Chemical Engineering Journal. 1999 ;74:109-115.
Shew CY, Yethiraj A. Monte Carlo simulations and self-consistent integral equation theory for polyelectrolyte solutions. Journal of Chemical Physics. 1999 ;110:5437-5443.
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). Journal of Chemical Physics. 1999 ;111:10732-10733.

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