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Internet Electronic Conference of Molecular Design 2003
IECMD 2003, November 23 - December 6 IECMD 2003, Day 3, November 26
1. IECMD 2003, paper 27
About Hydration of Mg2+: a Quantum DFT Study
Martine Adrian-Scotto, Diana Vasileva, Georges Mallet, and Dan Vasilescu
2. IECMD 2003, paper 50
Calculations of Electronic Absorption Spectra and
Third-order Polarizabilities of Finite Open Single-wall
Carbon Nanotubes of (4,2) with Different Lengths
W.-D. Cheng, D.-S. Wu, X.-D. Li, Y-Z. Lan, H. Zhang, Y.-J. Gong, D.-G. Chen, and Y.-C. Zhang
3. IECMD 2003, paper 24
Classification of Polar and Nonpolar Aquatic
Pollutants Using Simple Descriptors. Differences
between Polarity Prediction and Narcosis Classification
Guido Sello
4. IECMD 2003, paper 37
Ligand-based Computation of HIV-1 Integrase
Inhibition Strength within a Series of
β-ketoamide Derivatives
Frederik F. D. Daeyaert, H. Maarten Vinkers, Marc R. de Jonge, Jan Heeres, Lucien M. H. Koymans, Paul J. Lewi, and Paul A. J. Janssen
5. IECMD 2003, paper 51
Quantitative Structure-Electrochemistry Relationship
Study of Some Organic Compounds Using PC-ANN and PCR
Bahram Hemmateenejad and Mojtaba Shamsipur
6. IECMD 2003, paper 57
A Theoretical Study on the Chemopreventive Activity of Flavonoid Compounds
Agnaldo Arroio, Káthia M. Honório, Karen C. Weber, and Albérico B. F. da Silva
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