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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
TABLE OF CONTENTS - May 2006, Volume 5, Number 5
All PDF papers are free to download and print
Special issue dedicated to Professor Lemont B. Kier on the occasion of the 75th birthday
QSPR Study for the Hydrophobicity of 4-Aryloxy-7-nitrobenzofurazan
and 2-Aryloxy-(α-acetyl)-phenoxathiin Derivatives
Adrian Beteringhe, Ana Cristina Radutiu, Marioara Bem, Titus Constantinescu, and Alexandru T. Balaban
Abstract and PDF Paper
| 237-246 |
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Quantitative in silico Analysis of Molecular Recognition and Reactivity
of D-Amino Acid Oxidase
Toshihiko Hanai
Abstract and PDF Paper
| 247-259 |
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A New Aspect in the Computational Nanomaterial Science: Odd Electrons
in Molecular Chemistry, Surface Science, and Solid State Magnetism
Elena F. Sheka
Abstract and PDF Paper
| 260-286 |
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The Influence of the Basis Set Size on DFT Calculations of Surface
Complexes for the Assignment of SERS Spectra
Barbara Pergolese, Domenico Marchesan, Maurizio Muniz-Miranda, and Adriano Bigotto
Abstract and PDF Paper
| 287-295 |
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A New Formulation for the Herman-Wallis Coefficients for Infrared
Transitions of A Diatomic Molecule
Mahmoud Korek and Claire Deeb
Abstract and PDF Paper
| 296-305 |
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