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two additional papers of (possible) interest (fwd)



Sender: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" <DSMITH@uoft02.utoledo.edu>
Subject: WSN: two additional papers of (possible) interest

Accepted for publication in the Journal of the American Chemical Society:

"Theoretical Analyses of the Tautomeric and Conformational Equilibria of
Histamine and (alphaR,betaS)-alpha,beta-Dimethyl Histamine in the Gas
Phase and Aqueous Solution"
P. I. Nagy, G. J. Durant, W. P. Hoss and D. A. Smith

Accepted for publication in the Journal of Computational Chemistry and 
tentatively scheduled to appear in July:

"Comparison of the Molecular Mechanics + Generalized Born/Surface Area and 
the Ab Initio + Monte Carlo Simulation Methods in Estimating Conformational
Equilibria in Aqueous Solution"
P. I. Nagy, J. E. Bitar, and D. A. Smith

Enjoy!


Douglas A. Smith
Assistant Professor, Department of Chemistry
Center for Drug Design and Development
 and
Chairman-elect, ACS Division of Computers in Chemistry

The University of Toledo
Toledo, OH  43606-3390

voice    419-537-2116
fax      419-537-4033
email    dsmith@uoft02.utoledo.edu