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1995

1994

  • "Studies of Aramid Fibers by AFM and Molecular Simulation", Atomic Force Microscopy/Scanning Force Microscopy, S.H. Cohen, Ed., Plenum Press: New York, 251-263 (1994), (with D. Snetivy and G.J. Vancso).

  • "Thermal Expansion and Temperature Dependence of Elastic Moduli of Aromatic Polyamides", Macromolecules, 27(24), 7197-7204, (1994), (with D.J. Lacks).
    Abstract and full text, courtesy of American Chemical Society


  • "Implications of the Volume Dependent Convergence of Anharmonic Free Energy Methods", J. Chem. Phys., 101 (11), 9961-9965, (1994), (with D.J. Lacks).
    Abstract, courtesy of American Institute of Physics


  • "Mechanisms for Axial Thermal Contraction in Polymer Crystals: Polyethylene vs. Isotactic Polypropylene", Chem. Eng. Sci., 49 (17), 2881-2888, (1994), (with D.J. Lacks).
    Abstract, courtesy of ScienceDirect


  • "Simulation of the Temperature Dependance of Mechanical Properties of Polyethylene Crystals", J. Phys. Chem., 98, 1222-1231, (1994), (with D.J. Lacks).
    Abstract, courtesy of American Chemical Society


  • "Spinning and characterization of fibers from poly(2,6-dichloro-p-phenylene terephthalamide): a study of constitutional isomerism and solid state arrangements by comparison between simulation and experiment", Macromol. Chem. Phys., 195, 475-510, (1994), (with B.H. Glomm, F. Kuchenmeister, P. Neuenschwander and U.W. Suter).
    Abstract, courtesy of Wiley InterScience


1993

  • "A Novel Forcefield for Simulation of Polarizable Species and its Application to Fluorocarbons", J. Computer-Aided Materials Design, 1, 97-110, (1993), (with J.D. Carbeck).
    Abstract, courtesy of SpringerLink


  • "Semiempirical Molecular Orbital Estimation of the Relative Stability of Bianthryls Produced by Anthracene Pyrolysis", Combustion and Flame, 94, 233-243, (1993), (with J.A. Mulholland, J. Mukherjee, M.J. Wornat, and A.F. Sarofim).
    Abstract, courtesy of ScienceDirect


  • "Semiempirical Molecular Orbital Estimation of the Relative Stability of PCB Isomers Produced by o-Dichlorobenzene Pyrolysis", J. Phys. Chem., 97, 6890-6896 (1993), (with J.A. Mulholland and A.F. Sarofim).
    Abstract, courtesy of American Chemical Society


  • "Segmental Orientation in Aromatic Polyesters by Solid State Nuclear Magnetic Resonance and Modeling", J. Polym. Sci.-Phys., 31, 513-525, (1993), (with I.M. Ward).
    Abstract, courtesy of Wiley InterScience


1992

1991

  • "Crystal Structure of Fibers from a Novel Rigid-Rod Aromatic Polyamide Containing a Pyrimidine Moiety," Makromol. Chem., 192, 2993-3004,(1991), (with A.G. Oertli).
    Abstract, courtesy of Wiley InterScience


  • "Calculation of Mechanical Properties of Poly (p-phenylene terephthalamide) by Atomistic Modelling," Polymer, 32(12), 2179-89, (1991), (with U.W.Suter).
    Abstract, courtesy of ScienceDirect


  • "Analysis of Structure and Polymorphism in Poly(p-phenylene terephthalamide) through Correlation of Simulation and Experiment", Macromolecules, 24(8), 1934-1943, (1991), (with C.D. Papaspyrides and U.W. Suter).
    Abstract, courtesy of American Chemical Society


  • "Detailed Atomistic Simulation of Oriented Pseudocrystalline Polymers and Application to a Stiff Chain Aramid," Macromolecules, 24(8), 1921-1933,(1991), (with U.W. Suter).
    Abstract, courtesy of American Chemical Society


1990

  • "Simulation and Evaluation of Polymorphism in the Solid State of a Rigid Rod Aramid", Liquid Crystal Polymers, R.A. Weiss and C. K. Ober, Eds., ACS Symposium Series 435, 279-292 (1990), (with C.D. Papaspyridis and U.W. Suter).

 
updated: 1-20-2009
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