All Faculty and Research Staff Publications

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Yethiraj A. Molecular modeling of polymers at surfaces. Chemical Engineering Journal. 1999 ;74:109-115.
Yethiraj A, Hall CK. BEHAVIOR OF STARLIKE POLYMERS BETWEEN WALLS. Macromolecules. 1991 ;24:709-713.
Yethiraj A. Structure of room temperature ionic liquids. Journal of Physics-Condensed Matter. 2016 ;28.
Yethiraj A. Osmotic pressure of isotropic solutions of rodlike polymers. Journal of Chemical Physics. 2003 ;118:3904-3905.
Yethiraj A. Polymer melts at solid surfaces. Advances in Chemical Physics. 2002 ;121:89-139.
Yethiraj A, Hall CK. MONTE-CARLO SIMULATION OF POLYMERS CONFINED BETWEEN FLAT PLATES. Macromolecules. 1990 ;23:1865-1872.
Yethiraj A. Liquid State Theory of Polyelectrolyte Solutions. Journal of Physical Chemistry B. 2009 ;113:1539-1551.
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.
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.
Yethiraj A, Hall CK, Dickman R. INTERACTION BETWEEN COLLOIDS IN SOLUTIONS CONTAINING DISSOLVED POLYMER. Journal of Colloid and Interface Science. 1992 ;151:102-117.
Yethiraj A. Computer simulation study of two-dimensional polymer solutions. Macromolecules. 2003 ;36:5854-5862.
Yethiraj A. MONTE-CARLO SIMULATIONS FOR THE EQUATION OF STATE OF ATHERMAL LINEAR ALKANES. Journal of Chemical Physics. 1995 ;102:6874-6880.
Yethiraj A. Integral equations for polymers in quenched random media. Journal of Chemical Physics. 2002 ;116:5910-5911.
Yethiraj A. Weighted density approximation for polymer melts. In: Laird BB, Ross RB, Ziegler T Vol. 629. ; 1996. pp. 274-285.
Yethiraj A, Hall CK, Honnell KG. SITE-SITE CORRELATIONS IN SHORT CHAIN FLUIDS. Journal of Chemical Physics. 1990 ;93:4453-4461.
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.
Yethiraj A. Density functional theory of polymers: A Curtin-Ashcroft type weighted density approximation. Journal of Chemical Physics. 1998 ;109:3269-3275.
Yethiraj A, Sung BJ, Lado F. Integral equation theory for two-dimensional polymer melts - art. no. 094910. Journal of Chemical Physics. 2005 ;122:94910.
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.
Yethiraj A, Kuszta B, Smith CB. IDENTIFICATION AND FEEDBACK-CONTROL OF NONLINEAR-SYSTEMS. Chemical Engineering Communications. 1988 ;71:1-22.
Yethiraj A. ENTROPIC AND ENTHALPIC SURFACE SEGREGATION FROM BLENDS OF BRANCHED AND LINEAR-POLYMERS. Physical Review Letters. 1995 ;74:2018-2021.
Yethiraj A, Shew CY. Structure of polyelectrolyte solutions. Physical Review Letters. 1996 ;77:3937-3940.
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.
Yethiraj A, Hall CK. EQUATIONS OF STATE FOR STAR POLYMERS. Journal of Chemical Physics. 1991 ;94:3943-3948.
Yethiraj A, Fynewever H, Shew CY. Density functional theory for pair correlation functions in polymeric liquids. Journal of Chemical Physics. 2001 ;114:4323-4330.
Yethiraj A. Theory for chain conformations and static structure of dilute and semidilute polyelectrolyte solutions. Journal of Chemical Physics. 1998 ;108:1184-1192.
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.
Yethiraj A, Curro JG, Rajasekaran JJ. THERMODYNAMICS AND LOCAL-STRUCTURE OF VINYL POLYMER MELTS. Journal of Chemical Physics. 1995 ;103:2229-2236.
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.
Yethiraj A, Hall CK. GENERALIZED FLORY EQUATIONS OF STATE FOR SQUARE-WELL CHAINS. Journal of Chemical Physics. 1991 ;95:8494-8506.
Yethiraj A. Conformational properties and static structure factor of polyelectrolyte solutions. Physical Review Letters. 1997 ;78:3789-3792.
Yethiraj A. MONTE-CARLO SIMULATION OF SEMIFLEXIBLE HARD TRIATOMIC FLUIDS. Molecular Physics. 1994 ;82:957-972.
Yethiraj A, Striolo A. Fracking: What Can Physical Chemistry Offer?. Journal of Physical Chemistry Letters. 2013 ;4:687-690.
Yethiraj A. Forces between surfaces immersed in polyelectrolyte solutions. Journal of Chemical Physics. 1999 ;111:1797-1800.
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.
Yethiraj A, Fynewever H. Isotropic to nematic transition in semiflexible polymer melts. Molecular Physics. 1998 ;93:693-701.
Yethiraj A, Smith CB. NONLINEAR FEEDBACK-CONTROL OF A CLASS OF NONLINEAR-SYSTEMS. Electronics Letters. 1987 ;23:18-20.
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.
Yeung M, Ng ACH, Drew MGB, Vorpagel E, Breitung EM, McMahon RJ, Ng DKP. Facile synthesis and nonlinear optical properties of push-pull 5,15-diphenylporphyrins. Journal of Organic Chemistry. 1998 ;63:7143-7150.
Yew JY, Kutz KK, Dikler S, Messinger L, Li LJ, Stretton AO. Mass spectrometric map of neuropeptide expression in Ascaris suum. Journal of Comparative Neurology. 2005 ;488:396-413.
Yi SS, Moran PD, Zhang X, Cerrina F, Carter J, Smith HI, Kuech TF. Oriented crystallization of GaSb on a patterned, amorphous Si substrate. Applied Physics Letters. 2001 ;78:1358-1360.
Yi CS, Torres-Lubian JR, Liu NH, Rheingold AL, Guzei IA. Selective linear coupling reaction of acetylene and acrylonitrile catalyzed by the well-defined metallacyclopentadiene complex C5Me5(PPh3)(Cl)RuCH = CHCH = CH. Organometallics. 1998 ;17:1257-1259.
Yi SS, Reichert EL, Holthausen MC, Koch W, Weisshaar JC. Crossed-beam study of Co+(F-3(4))+propane: Experiment and density functional theory. Chemistry-A European Journal. 2000 ;6:2232-2245.
Yi CQ, Jia GF, Hou GH, Dai Q, Zhang W, Zheng GQ, Jian X, Yang CG, Cui Q, He CA. Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature. 2010 ;468:330-U223.
Yi SS, Reichert EL, Weisshaar JC. Bimolecular reaction dynamics of Co+(F-3(4)) plus acetone reaction in real time. International Journal of Mass Spectrometry. 1999 ;185:837-846.
Yi SS, Blomberg MRA, Siegbahn PEM, Weisshaar JC. Statistical modeling of gas-phase organometallic reactions based on density functional theory: Ni++C3H8. Journal of Physical Chemistry A. 1998 ;102:395-411.
Yi SS, Hansen DM, Inoki CK, Harris DL, Kuan TS, Kuech TF. Lateral epitaxial overgrowth of GaSb on GaSb and GaAs substrates by metalorganic chemical vapor deposition. Applied Physics Letters. 2000 ;77:842-844.
Yi CS, Liu NH, Rheingold AL, LiableSands LM, Guzei IA. Reaction of the in-situ-generated ruthenium-acetylide complex C5Me5Ru(PPh3)C CPh with small molecules. Organometallics. 1997 ;16:3729-3731.
Yi CS, He ZJ, Guzei IA. Transfer hydrogenation of carbonyl compounds catalyzed by a ruthenium-acetamido complex: Evidence for a stepwise hydrogen transfer mechanism. Organometallics. 2001 ;20:3641-3643.
Yi CS, Zeczycki TN, Guzei IA. Highly cooperative tetrametallic ruthenium-mu-oxo-mu-hydroxo catalyst for the alcohol oxidation. Organometallics. 2006 ;25:1047-1051.

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