Subject: 4th conference on Current Trends in Computational Chemistry (CCT

From: <[email-masked]>
Date: Tue, 31 Oct 1995 05:34:33 +0000

FOURTH CONFERENCE ON 
		"CURRENT TRENDS IN COMPUTATIONAL CHEMISTRY" 
		       	JACKSON, MISSISSIPPI

			FRIDAY NOVEMBER 3, 1995

	REGISTRATION            	           08:00 AM -  12:00 PM
                        		           02:00 PM -  04:00 PM

	CONTINENTAL BREAKFAST	           08:00 AM -  09:00 AM

	OPENING CEREMONY	           09:00 AM -  09:30 AM

GREETINGS:
                     
Dr. Robert W. Whalin    		Director, USAE Waterways Experiment Station

Dr. Dora Washington   			Vice President for Academic Affairs, Jackson 
State 				University

Dr. Jagdish Chandra      		Director, Mathematical and Computer 
Science 					Division, US Army Research Office

MORNING SESSION    9:30 AM - 12:50 PM

			Magdolna Hargittai

	Session Chairman, Hungarian Academy of Sciences, Eotvos University

Donald G. Truhlar:
               		"Solvation Effects on Chemical Structure, 
Equilibria, and 				  Reactivity".
		  	 Department of Chemistry,University of Minnesota, Minneapolis 			
  MN.

 Alfred H. Lowrey:
               		"Theoretical Linear Solvation Energy Relationships 
for 				  Properties of Energetic Materials".
		  	 Laboratory for the Structure of Matter, Naval Research				  
Laboratory, Washington, DC.

COFFEE BREAK    11:00 AM - 11:20 AM

William H. Miller:
               		"Quantum Theory of Chemical Reaction Rates".
		   	 Department of Chemistry, University of California Berkeley, 			
	   Berkeley, CA.
Eiji Osawa:
              		"Further Developments in Conformational Space 
Search".
		  	 Department of Knowledge-Based Information Engineering, 				  
Toyohashi University of Technology, Toyohashi, Aichi, Japan.

		LUNCH BREAK    12:50 PM - 2:00 PM

		AFTERNOON SESSION    2:00 PM - 7:15 PM

			Cary F. Chabalowski

	Session Chairman,  US Army Ballistic Research Laboratory AMSRL-WT-PC

Isaiah Shavitt:
              		"Multirefence  Methods in Electronic Structure 
Theory".
		  	Department of Chemistry, Ohio State University, Columbus, 			  
OH.

Martin Head-Gordon:
               		"Linear Scaling Self-Consistent Field Calculations: 
Progress 			  and Prospects".
		  	Department of Chemistry, University of California Berkeley, 				 
 Berkeley, CA.

			COFFEE BREAK           	3:30 PM - 4:00 PM

			TOUR OF THE WES FACILITIES    4:00 PM - 5:30 PM

			FIRST POSTER SESSION  6:00 - 7:15		

S. A. Alexander and R. L. Coldwell:       		 
		"Atomic Wavefunction Forms".
		 Department of Physics, University of Texas at Arlington, 				  
Arlington, TX .
		 Department of Physics, University of Florida, Gainesville, FL.

George F. Adams:
		"Ab Initio Prediction of Polymer Dielectric Constants".
		 US Army Research Lab, Aberdeen Proving Ground, MD.		

Amy J. Boone, David H. Magers and Jerzy Leszczynski:
		"Searches on the Potential Energy Hypersurfaces of CGeH2, 			  
SiGeH2, and Ge2H2".
		 Department of Chemistry, Mississippi College, Clinton, MS.

Edward A. Boudreaux:
		"SC-MEH-MO Calculations on Lanthanide Systems III. 				  Nd(CO)6".
		 Department of  Chemistry, Univeristy of New Orleans, New 				  
Orleans, Louisiana.

Candee C. Chambers, Christopher J. Cramer, Donald G. Truhlar,
Edet Archibong, Ali Jabalameli and Richard Sullivan:
		 "Quantum Chemical Conformational Analysis of 				    
1,3-Dimethylthiourea". 
		  Department of Chemistry, Supercomputer Institute, and the 				    
Army High Performance Computing Research Center, 				    University of Minnesota, Minneapolis, MN. 
                  Department of Chemistry, Jackson State University, 
Jackson, MS

Stanley Chen and Henry A. Kurtz
		"Calculations on Nonlinear Optical Properties of Small 	
	         Interacting Molecules".
	         Department of Chemistry, University of Memphis, Memphis, 
TN.

James R. Cheeseman, Gary W. Trucks and Michael J. Frisch  
  		"A Comparison of Models for Calculating Magnetic 				  
Properties".
	         Lorentzian, Inc., 140 Washington Avenue, North Haven, 		
		 CT.

Steven R. Davis and Baoan Yu:
               	"Theoretical Investigation of the Catalytic 
Decomposition of 			  Tetrafluoroethylene by Molecular Oxygen".
		 Department of Chemistry, University of Mississippi, MS.

Helena Dodziuk and Jerzy Leszczynski:
               	"Ab Initio Hartree-Fock and Post-Hartree-Fock Study 
of 				  Bicyclobutane  and its Oxa-, Thia-, and Selenoderivatives".
	         Polish Academy of Sciences, Institute of Organic Chemistry, 
				  Warsaw, Poland.
 	         Department of Chemistry, Jackson State University, 
Jackson, 				  MS.

Wiiliam H. Donovan:
   		"Computational Characterization of the Radical obtained 				   
>From Fumaronitrile via Hydrogen Atom Abstraction".
	         US Army Edgewood Research, Development & Engineering 				   
Center SCBRD-RTC, Bldg E-3160 Aberdeen Proving Ground, 			   MD.

C. Kubli Garfias, D. Martinez Uscanga, A. Luna Sanchez, E. Meza-Avina 
and Y. Hernandez-Romero  and J. Mendieta :        		
		"AM1 and PM3 Study of Changes in the Electronic Structure 			  of 
Androstenes After Systematic Addition of Functional 				  Groups".
		 Laboratory of Harmonal Chemistry. Biomedical Institute, 				  
Autonomous University of Mexico, Mexico
	         University of Puebla, Mexico D. F.

Sor  Koon Goh  and Alain St. Amant:
		"Frozen Localized Kohn-Sham Orbitals at the QM/MM 			  Boundary in 
a Combined Quantum 					  Mechanics/Molecular Mechanics Approach.
		 Department of Chemistry, University of Ottawa, 10 Marie 			  
Curie, Ottawa, Ontario, K1N 6N5, Canada.

Tracy P. Hamilton and Hui-Hsu Tsai:
		"Rotational Invariance in Hartree-Fock Force and 				  Frequency 
Calculations".
	         Department of Chemistry, University of Alabama at 				  
Birmingham, Birmingham, AL.

Magdolna Hargittai and Istvan Hargittai:
		"Computed Versus Experimental Bond Lengths".
	         Structural Chemistry Research Group of the Hungarian 				   
Academy of Sciences, Eotvos University, Budapest, Hungary.
	         Budapest Technical University, Budapest, Hungary.

Karl K. Irikura:
		"Structure and Thermochemistry of S2F10".	  
		 Chemical kinetics and Thermodynamics Division, National 				  
Institute of Standards and Technology, Gaithersburg, MD.

Yasuyuki Ishikawa and Konrad Koc:
               	"Relativistic Many-Body Perturbation Theory for 
General 				  Open-Shell Multiplet States".
	         Department of Chemistry and the Chemical Physics Program, 		
		  University of Puerto-Rico, San Juan, Puerto Rico, USA.

Branko S. Jursic and Blaise LeBlanc:
		"An AM1 and DFT-AM1 Computational Study of Methyl 				  
Phenylpropiolate Addition to 						  1-Phenyl-3,4-Dimethylphosphole".
	         Department of Chemistry, University of New Orleans, New 				
  Orleans, LA.

Anatoli A. Korkin, Slawomir Berski,  Jerzy Leszczynski, Frank Mark 
and Kurt Schaffner:
		"Ab Initio/DFT Studies on Biologically Important Pyrrolic 				  
Compounds. Hydrogen Bonding Phenomena and Vibrational 		  Frequencies".
	         Max-Planck-Institut Fur Strahlenchemie Postfach 101365, 				
  Germany.		 
	         Institute of Chemistry, University of Wroclaw, Wroclaw, 
Poland.
	         Department of Chemistry, Jackson State University,  
Jackson,  			  MS. 

Pawel M. Kozlowski, Andrzej A. Jarzecki and Peter Pulay:
	       "Ab Initio Vibrational Spectroscopy of Porphines".
	        Department of Chemistry, University of Arkansas, 
Fayetteville, 			  AR.																					 Okuma E. Kasende, Krystyna Szczepaniak and Willis B. Person:
	       "Hydrogen Bonding in Solid Guanine Derivatives. 				   
Vibrational Studies".
	        Department of Chemistry, University of Florida, Gainesville, 
         		   FL.

Abdelnasar A. Khalil, Andrzej Nowek and Jerzy Leszczynski:
		"A Systematic Investigation of H2CO...X2 Complexes 				  (X=F, Cl, 
Br). High Level Ab Initio Study".
	         Deparmtent of  Chemistry, Jackson State University, 
Jackson, 				  MS.

Istvan Kolossvary:
		"Information Theory and Electron Density".
		 Department of Chemical Information Technology, Technical 				  
University of Budapest, H-1521 Budapest, Hungary.

Anatoli A. Korkin, Jerzy Leszczynski, Vladimir V. Murashov and Paul 
v. R. Schleyer:
		"Trisilaallyl Cation and Related Si3H5+ Structures. Analogies 			  
and Divergencies With The Corresponding Carbon Species".
	         Quantum Theory Project, University of Florida, Gainesville, 
FL.
	         Department of Chemistry, Jackson State University, Jackson, 

	         MS.
	         Department of Chemistry, Dalhousie University, Halifax, 
Canada
	         Computer Chemistry Center, Institut fur Organische Chemie, 	
			  Universitat Erlangen-Nurnberg, Germany.

Henry A. Kurtz and Antonio M. Ferreira:
		"Solvent Effects in Hyperpolarizability Calculations".				  
Department of Chemistry, University of Memphis, 				  Memphis, TN.

Koop Lammertsma and Tomohiko Ohwada:
		"Molecules with Wings".
		 Department of Chemistry, University of Alabama at Birmingham, UAB 
Station, 
		 Birmingham, AL.
		 Faculty of Pharmaceutical Sciences, University of Tokyo, Japan.	

Michael L. McKee:
		"Ab Initio Study of Diborane Hydrolysis".
	         Department of Chemistry, Auburn University, Auburn, AL.

Jeffery D. Madura:
		"Using UHBD to Study Biomolecular Interactions".               			  
University of South Alabama, Department of Chemistry, 				  CH-223, Mobile, AL.

Diwakar M. Pawar and Eric A. Noe:
		"Conformational Study of Cyclohexene Oxide".
	         Department of Chemistry, Jackson State University, Jackson, 
				   MS.

A. V. Titov and R. A. Mokarevich:
		"Combined Use of Effective Core Potential and One-Center 			  
Expansion Methods for Calculation of Electronic Sructure 				  of Molecules with Heavy Atoms".
	         St.-Petersburg Nuclear Physics Institute, Gatchina, 				  
St.-Petersburg District, Russia.

Andrzej Wierzbicki:
		"Modeling Studies of Drugs Used in Treatment of Renal 				  
Stones".
	         Department of Chemistry, University of South Alabama, 
Mobile, 		 AL.

		DINNER/RECEPTION	7:15 PM - 9:30 PM		

			Saturday November 4, 1995

	CONTINENTAL BREAKFAST 	8:00 AM - 9:00 AM

	REGISTRATION           	8:30 AM - 11:00 AM

	
	MORNING SESSION    9:00 AM - 12:30 PM

			James F. Boggs
		
		Session Chairman, The University of Texas

Vincent Ortiz
		 "A Guide to Practical Propagator Calculations".
		  Department of Chemistry, University of New Mexico, 				  
Albuquerque, NM.

John Stanton
               		"Overview of the Equation-of-Motion Coupled Cluster		
		  Method".
		  Department of Chemistry and Biochemistry, University of Texas 			 
 at Austin, Austin, TX.

			COFFEE BREAK 10:30 AM - 11:00 AM

Vincent B. McKoy: 
		"Studies of Electron-Molecule Collisions on Highly Parallel 			  
Computers".
		 Department of Chemistry, California Institute of Technology, 				  
Pasadena, CA.  
    
Adam Godzik:
		"Prediction of Protein Structure".
	         Department of Molecular Biology, Cell Biology, and 
Chemistry, 		 	  Scripps Research Institute, La Jolla, CA.

		LUNCH BREAK 12:30 PM - 2:00 PM

		AFTERNOON SESSION 2:00 PM - 6:00 PM

			Michael McKee

		Session Chairman,  Auburn University

Paul v. R. Schleyer:
		"Details of Neighboring Group Participation Revealed".
		 Institut fur Organische Chemie der 						  
Friedrich-Alexander-Universitat Erlangen-Nurnberg, Erlangen, 			  Germany.

Kendall N. Houk:
               	"Theoretical Studies of Aromatic Molecules: From Cn			
	  through Octapyyrroles".
	         Department of Chemistry and Biochemistry, University of 				
  California, Los Angeles, CA.
Andrew Komornicki:
		"Recent Developments and Applications of Density Functional 		  
Theory".
	         Polyatomics Research Institue, Mountain View, CA.

		COFFEE BREAK 4:15 PM - 4:45 PM

		Second Poster Session	4:45 - 6:00

Edet F. Archibong and Richard Sullivan:
		"Molecular Structures of Some Group 13 Oxides".
		 Department of Chemistry, Jackson STate University, 				  Jackson, 
MS.

Lionel Goodman and Ding Guo :
		"Understanding the Acetaldehyde Torsional Barrier by 				   Natural 
Bond Orbital Analysis".
		 Wright and Rieman Chemistry Laboratories, Rutgers University, 			  
New Brunswick, NJ. 

 Magdolna Hargittai, Judit Molnar and Jerzy Leszczynski :
		"The Molecular Structure of Chromium Dichloride from MP2 		  
Calculations, Study of Basis Set Effects". 
	         Structural Chemistry Research Group of the Hungarian 
	         Academy of Sciences, Eotvos University, Budapest, Hungary.
	         Jackson State University, Jackson MS.

R. E. Jetton, J. R. Nanney and C. A. L. Mahaffy:
		"The Prediction of the 13C NMR Spectra of Arenes Using 			  
Mathematical Modeling Techniques".
	         Department of Mathematics, Auburn University, 				  
Montgomery, AL. Department of Chemistry, Auburn 				  University, Montgomery, AL.

Shunt Jones, Tim Beacham, Kamiti Harden, Lowell Agwarambo, Joan Q. 
Huang and Jerzy Leszczynski:
		"Experimental and Theoretical Ab Initio Study on the 				  Epoxide 
Ring-Opening Reactions". 
	         Department of Chemistry, Tougaloo College, Tougsloo, MS.
	         Department of Chemistry, Jackson State University, Jackson, 
		  MS.
Branko S. Jursic and Don Coupe:
               	"Study of Isomerization of 
Bicyclo[6.1.0]nona-3,5-diene to 				  Bicyclo[6.1.0]nona-2,4-diene by Ab Initio and Density 				  Functional Gaussian-Type-Orbital Approach". 
 	         Department of Chemistry, University of New Orleans, New 			
	  Orleans, LA.				  

J. Mareda:
		"Ab Initio Investigation of the Potential Energy Surface for 				  
1-Bicyclo(3.1.1)Heptyl Cation".		
 	         Department of Organic Chemistry, University of Geneva, 				
  Switzerland.

Sam M. Mazhari, Ali Jabalameli, Richard H. Sullivan and Jeff 
Zubkowski:
		"Conformational Study of 						  4,4-Dimethyl-3-thiosemicarbazide 
by Ab Initio, X-Ray 				  Crystallography and Nuclear Magnetic Resonance 				  Spectroscopy".
	         Department of Chemistry, Jackson State University, Jackson, 
		
	         MS.

J. A. Montgomery, Jr., Joseph W. Ochterski and G. A. Petersson:
		"Complete Basis Set Model Chemistries".
	         Lorentzian, Inc., North Haven, CT.
	         Hall-Atwater Laboratories of Chemistry, Wesleyan 
University, 			  Middletown, CT. 

 N. S, Mosyagin, A. V. Titov and Z. Latajka:
		"Generalized Relativistic Effective Core Potential. guassian 				  
Expansions for Atoms Hg Through Rn".
	         St. Petersburg Nuclear Physics Institute, Gatchina, 
St.Petersburg 			  District, Russia. 
	         Institute of Chemistry, University of Wroclaw, Wroclaw, 				
  Poland.

J. R. Nanney, R. E. Jetton and C. A. L. Mahaffy:
		"The Prediction of the 11B NMR Signal Positions of 				  Trigonal 
Boranes Using Statistical Methods".
	         Department of Mathematics, Auburn University at 				  
Montgomery, Montgomery, AL.
	         Department of Chemistry, Auburn University at Montgomery, 		
	  	  Montgomery, AL.

Marcel Nooijen, R. Steven, S. Ajith Perera  and Rodney J. Bartlett:
		"Partitioning Techniques and Perturbative Approximations 			  in 
Equation-of-Motion Coupled Cluster Theory".
	         University of Florida, Quantum Theory Project, Gainesville, 
FL.

Rhonda Odom, Dana Miggins, Diwakar Pawar, Hugh Mark, Denise Elliott, 
Eric Noe and Bennie Brown:
		"Conformations of Cyclodecane and Monosubstituted 				  
Cyclodecanes".
	         Department of Chemistry, Jackson State University, MS.

Sharmila V. Pai, Cary F. Chabalowski and Betsy M. Rice:
		"A Comparative Study of Nonlocal Density Functional 				  Theory 
and Ab Initio Methods: The Potential Energy 				  surface of sym-Triazine Reactions".
	         US Army Research Laboratory,  Aberdeen Proving Ground, 				 
 MD.

Diwakar Pawar and Eric Noe:
		"Dynamic NMR Studies of Trans-Cyclodecene, 				  Cis-Cyclodecene 
and Cis-Cyclodecene Oxide".
	         Department of Chemistry, Jackson State University, Jackson, 
				  MS.

Greg Pearl, Anders Broo and M. C. Zerner:
		"Application of the Hybrid QM/MM Procedure".
	         Quantum Theory Project, University of Florida, Gainesville, 
			  FL.

Morgan Ponder, Alan Long, Lester Williams, Tracy Hamilton and Don 
Muccio:
		"Ring Conformation of Model Compounds for Retinoids".
		 Department of Chemistry, Samford Unversity, Birmingham, AL.
		 Department of Chemistry, The University of Alabama at 				 
Birmingham, Birmingham, AL.

B. Ramachandran, Jorg Senekowitsch and Robert E. Wyatt
		"A New Potential Surface for the Reaction 
	         O(3P) + HCl           OH + Cl 
	         Department of Chemistry, Louisiana Tech University, Ruston, 
			  LA.
	         College of Pharmacy, Idaho State University, Pocatello ID.
	         Department of Chemistry and Biochemistry, University of 		
	         Texas, Austin, TX.

Rhonda Richardson, Andrzej Nowek and Jerzy Leszczynski:
		"Hartree-Fock and Post-Hartree-Fock Study on 				  Molecular 
Structure and Properties of SPX/XSP (X=F, 			  Cl, Br) Systems".
	         Department of Chemistry, Jackson State University, Jackson, 
		  MS. 

Yu. V. Rubin, Jerzy Leszczynski and Yu. P. Blagoi:
		"An Experimental and Theoretical Study of Tautomerism in 			  
4-Thiouracil and 6-Thioguanine".
	         B. Verkin Institute for Low Temperature Physics and 				  
Enginnering, National Academy of Science, Kharkov, Ukraine.
	         Jackson State University, Jackson, MS. 

Bidhan C. Saha and Charles A. Weatherford:
		"Electron Capture from Excited Alkalies by H+ at Low 				  
Energies".
	         Department of Physics and FAMU/Army High Performance 				  
Computing Research Center, Florida A & M University, 				  Tallahassee, FL.

Peter R. Schreiner, Henry F. Schaefer III and Paul v. R. Schleyer:
		"Cation-Dihydrogen Complexes and Some Neutral 				  Analogues".
	         Center For Computational Quantum Chemistry, University 			  
of Georgia, Athens, GA.
	         Institut fur Organische Chemie der 	
	         Friedrich-Alexander-Universitat Erlangen-Nurnberg  
Erlangen, 			  Germany.

Rashad Sims, Andrzej Nowek and Jerzy Leszczynski:
		"Potential Energy Surfaces of H2GeO and H2GeS. High 			  Level Ab 
Initio Study".
	         Department of Chemistry, Jackson State University, Jackson 	
		  MS.

James A. Snyder and Edwin D. Stevens:
		"Quantum Mechanical Constraints For a Least Squares 			  Type 
Refinement of Molecular Wavefunctions from 				  X-Ray Diffraction Data". 
	         Department of Chemistry, University of New Orleans, LA.	

Jiri Sponer, Jerzy Leszczynski and Pavel Hobza:
               	"Hydrogen Bonding and Stacking Interactions of DNA 
Bases: 			  Their Origin and Relative Strength".
	         J. Heyrovsky Institute of Physical Chemistry, Academy of 			
	  Sciences of the Czech Republic, Prague, Czech Republic.
	         Department of Chemistry, Jackson State University, Jackson, 
				  MS.

Jefforey Stafford, Diwakar Pawar, Abdelnaser A. Khalil, Denise Hooks, 
Kenneth Collins, Tijuana Elliot and Eric A. Noe:		
		"Conformations of N-Substituted Amides".
	         Department of Chemistry, Jackson State University, Jackson, 
		  MS.
Krassimir K. Stavrev, T. Tamm and M. C. Zerner:
		"Improved PCM-Type Model for the Description of 				  Solvent 
Effects". 
	         Quantum Theory Project, University of Florida,  
Gainesville, 
	         FL. 
		
A. V. Titov and N. S. Mosyagin:
		"Generalized Relativistic Effective Core Potential. Theoretical 			 
 Grounds".
	         Petersburg Nuclear Physics Institute, Gatchina, 
St.-Petersburg 			  District, Russia.

I. A. Topol, R. E. Cachau, Y. Abashkin, L. Young, S. K. Burt, and J. 
W. Erickson:
		"Proposed Mechanisms of Peptide Bond Cleavage in Aspartic 			  
Proteases - Do They Work"?
	         Structural Biochemistry Program, Frederick Biomedical 				  
Supercoomputing Center, PRI/Dyn Corp., National Cancer 				  Institute - Frederick Cancer Research and Development Center, 			  F
rederick, MD.

Gary W. Trucks and M. J. Frisch:
		"Fully-Direct Analytic Second Derivatives of Excited States: 			  
Configuration Interaction Singles Theory and Application".
	         Lorentzian Inc., North Haven, CT.

Hui-hsu Tsai, Tracy P. Hamilton, Jyh-hsin M. Tsai and Joseph S. 
Beckman:
               	"Ab Initio Studies of Peroxynitrite Anion-Water 
Complexes".
	         Departments of Chemistry, Physics and Anaesthesiology, The 	
			  University of Alabama at Birmingham, Birmingham, AL.
	         University of Minnesota, Minneapolis, MN.

Jan Urban, Jozef Tino, Igor Koren and Pavol Mach:
		"Calculation of Rotational Barriers in Amorphous Polymers". 
	         Polymer Institute, Slovak Academy of Sciences,  Bratislova, 
				  Slovakia. 
	         Comenius University, Faculty of Mathematics and Physics, 			
	  Department of Biophysics and Chemical Physics, Bratislova, 				  Slovakia. 				 

Ramaiyer Venkatraman, Andrzej Nowek and Jerzy Leszczynski:
		"Existence of Two Distinct Isomeric Forms of 					  Me(OH)SiCH2.  A 
Theoretical Confirmation".
	         Department of Chemistry, Jackson State University, Jackson, 
				  MS.

Aaron B. Weber and Edward A. Salter:
		"Stability of Cyclotriphosphane".
 	         Department of Chemistry, Spring Hill College, Mobile, AL.

K. Wolinski, P. M. Kozlowski, J. F. Hinton, P. Pulay:
		"Ab Initio GIAO Chemical Shift Calculations for Amino 				  Acids". 

	         Department of Chemistry, University of Arkansas, 
Fayetteville, 			  AR.

Andrzej Wierzbicki, Norris W. Hoffman, Jeffry D. Madura, Edward A. 
Salter and Margaret S. ValLoock:
		"Density Functional Theory Structural Investigations of 				  
Rhodium (I) Vaska Complexes".
	         Computer Chemistry Center, Institut fur Organische Chemie, 	
			  Universitat Erlangen-Nurnberg, Henkestr, Germany.
	         Center of Computational Quantum Chemistry, University of 			
	  Georgia, Athens, GA.
	         Department of Chemistry, University of South Alabama, 
Mobile, 		  AL.		
	         Department of chemistry, Spring Hill College, Mobile, AL.

Danny H. L. Yau and Kwong-Yu Chan:
		"Monte Carlo Simulation of Hard Sphere 				 	  Mixtures".
	         Department of Chemistry, The University of 			 		  Hong 
Kong, Pokfulam, Hong Kong.				  

Zing-Yue Yeh, Debbie B. Saebo and Sevin Saebo:
		"Theoretical Studies of Thermotropic Liquid Crystalline 				  
Polymers".
	         Department of Chemistry, Mississippi State University, MS.

		COCKTAILS	6:30 - 7:30

		BANQUET		7:30 - 9:30

		Banquet Speaker: Dr. Tayfun Tezduyar
		Director, Army High Performance Computing Research Center

Registration form:

                         4th Conference on

            CURRENT TRENDS IN COMPUTATIONAL CHEMISTRY

            NOVEMBER 3 & 4, 1995, Jackson, Mississippi

1.  NAME:

    MAILING ADDRESS

    TELEPHONE:                  FAX:            E-MAIL:

2.  If you wish to present a poster, please indicate the title
    below.   All abstracts are due October 10, 1995 (up to 4
    pages in length, presenting author underlined, photo-ready 
    quality, in duplicate) to ensure publication in the Conference 
    Materials.

    TITLE:

    AUTHORS:

3.  Conference materials, special issue of the "STRUCTURAL 
CHEMISTRY", 
    banquet and reception fee, all meals from breakfast on Friday 
through 
    dinner on Saturday, cofee and refreshments are included per 
    paid participant.  
    Make checks payable to :    Conference on "Current Trends in 
Computational
                                Chemistry"
		
    in accord with the fee structure listed below.

    Registration fee before September 15, 1995, $125.00 $-------
 
    Registration fee thereafter, $ 175.00              $-------
 
    Registration fee at student discount, $50.00       $-------

5.  HOUSING:  The organizers will not make housing reservations.
    In order to reserve a room at a special conference rate of
    $50.00-$60.00 per room  call Holiday Inn of Vicksburg, 3330 Clay 
Street,
    Vicksburg, Ms-39180.  Phone (601)636-4551, Fax:(601)636-4552.  
The 
    reservation should be arranged with the Holiday Inn before 
    October 15, 1995.

    I do -------     do not ------- plan to stay at the conference
    hotel.

    I do -------     do not ------- plan submit a paper to the 
special issue 
    of "THEOCHEM"

                                                -----------------
						     signature

Please type all entries and return to Jerzy Leszczynski, Department
of Chemistry, Jackson State University.  P.O.Box 17910, Jackson,
MS 39217.