Subject: NEOMIG/PAIMG Joint Meeting Agenda

From: [email-masked] (Craig W. Burkhart)
Date: Tue, 26 Apr 94 16:30:59 -0400

**********        GENERAL NOTICE      *************

                  MEETING AGENDA

              The First Joint Meeting of
        Northeastern Ohio Modeling Interest Group
                        and
    Pittsburgh Academic and Industrial Modeling Group

                FRIDAY MAY 3, 1994

               The Wick-Pollock Inn
                 Youngstown, Ohio

 9:00 Meeting Registration/Arrival

 9:25 Welcoming Remarks
      Dr. Peter J. Kasvinsky, Dean of Graduate Studies
      Youngstown State University

MORNING SESSION
Richard Ross, PPG Industries, Presiding

 9:30 M. Rush & David Ewing
      John Carroll University
      "An Ab Initio Quantum Chemical Model of the Active Site
       of Hemocyanin"

10:00 Tom Fabish
      Aluminum Corporation of America
      "Initial Molecular Modeling Tests for a Relationship between
       Molecular Compliance and Invoked Biological Response for
       Polychlorinated Biphenyls (PCBs)"

10:30 Charles W. Ulmer, II and Douglas A. Smith
      University of Toledo
      "Theoretical Studies of Substituent Effects on the 
       Pentadienyl Cation Electocyclization"

11:00 Morning Break

11:30 Janet Del Bene
      Youngstown State University
      "An Ab Initio Study of Complexes of HF with the Chloromethanes,
       and Comparison with HCl Chloromethane Complexes"

12:00 Anne Chaka
      Lubrizol Corporation
      "A Quantum Mechanical Study of the Mechanisms for the
       Alkylation of Arylamines"

12:30 - 2:00 LUNCHEON AND POSTER SESSION

POSTER PRESENTATIONS

1.    Genzo Tanaka
      University of Akron
      "Thermal and Mechanical Properties of PVC by
       Molecular Modeling Techniques"

2.    Sergei Chvalun, Muhammad Ishaq and John Blackwell
      Case Western Reserve University
      "Structure of Thermotropic Polyesters with
       Phenyl and Thio-Phenyl Side Chains"

3.    Samir Kudchadkar and J.M. Wiest
      Purdue University
      "Molecular Dynamics of the Glass-Former ortho-Terphenyl"

4.    L. Rendek and David Ewing
      John Carroll University
      "Semi-Empirical Quantum Chemical Studies of Hydrogen
       Transfer Reactions of Hydrocarbons"

5.    C.E. Wozny, Bobby Sumpter and Donald Noid
      Oak Ridge National Laboratory
      "Novel Methods for Spectral Analysis of Polymers"

AFTERNOON SESSION.
Craig Burkhart, Goodyear Research, Presiding

 2:00 Bobby Sumpter, Donald Noid and Andrei Gakh
      Oak Ridge National Laboratory
      "A Computational Paradigm for Predicting Materials Properties"

 2:30 Beverly Bendiksen
      Calgon Corporation
      "Calcium Carbonate Inhibitor Design - Approach and Methods"

 3:00 Donald H. Napper
      University of Sydney
      "Modelling Free Radical Entry into Latex Particles in
       Emulsion Polymerization"

 3:30 Donald Noid & Bobby Sumpter
      Oak Ridge National Laboratory,
      "Computational Simulations of Polymeric Materials"

 4:00 Afternoon Break
  
 4:30 Wayne L. Mattice
      University of Akron
      "Local Dynamics in Amorphous Polybutadienes"

 5:00 Lynn Brower
      MasterBuilders
      "Molecular Modeling for Industrial Materials Product
       Development - Starting Up"

 5:30 Rick Ross
      PPG Industries
      "Molecular Mechanics and Dynamics Studies in
       Research at PPG Industries"

*************

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Craig W. Burkhart, Ph.D.                   Senior Research Chemist 
E-mail: [email-masked]             The Goodyear Tire & Rubber Co.
Fone:   216.796.3163                       Research Center
Fax:    216.796.3304                       142 Goodyear Boulevard
					   Akron, OH   44305
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