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Internet Electronic Conference of Molecular Design 2004
IECMD 2004, November 29 - December 12

IECMD 2004, Day 6, December 6


Return to the IECMD 2004 main pageGo to the IECMD 2004 discussion site

1. IECMD 2004, paper 36
Numerical Evaluation of Two-Center Overlap Integrals Over Slater-Type Orbitals and Convergence Properties
Hassan Safouhi and Ahmed Bouferguene
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2. IECMD 2004, paper 22
The nano-science of C60 molecule
Elena F. Sheka
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3. IECMD 2004, paper 25
New Application Design for a 3D Hydropathic Map-Based Search for Potential Water Molecules Bridging between Protein and Ligand
Glen E. Kellogg , Micaela Fornabaio , Deliang L. Chen , and Donald J. Abraham
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4. IECMD 2004, paper 16
Property-Based Design Methodology III: Identifying Creative Substituents
R. DeWitte , E. Kolovanov , and F. Gorohov
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5. IECMD 2004, paper 42
General and independent approaches to predict HERG affinity values
Elena Fioravanzo , Nicola Cazzolla , Lucia Durando , Cristina Ferrari , Massimo Mabilia , Rosella Ombrato , and Marco Daniele Parenti
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6. IECMD 2004, paper 50
The Infrared and Raman Spectroscopic Signals of HF, HCl, HBr and HI
Martin Grayson
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