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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
TABLE OF CONTENTS - February 2003, Volume 2, Number 2
All PDF papers are free to download and print
Special issue dedicated to Professor Haruo Hosoya on the occasion of the
65th birthday - Part 6
A Computer Program for the Simulation of the NOE Effect in
NMR Spectroscopy, and Its Implementation into the CICADA
Conformational Search Program
Zdenek Kriz, Jaroslav Koca, and Per H. J. Carlsen
Abstract and PDF Paper
| 55-69 |
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Molecular Design of Chemical Compounds with Prescribed
Properties from QSAR Models Containing the Hosoya Index
Mariya I. Skvortsova, Konstantin S. Fedyaev, Vladimir A. Palyulin, and Nikolai S. Zefirov
Abstract and PDF Paper
| 70-85 |
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Partial Structures of C60 Responsible for Its Lowest Electronic
Absorption Band: Corannulene or Triphenylene?
Tai-ichi Shibuya, Susumu Narita, Yasushi Nomura, and Tetsuo Morikawa
Abstract and PDF Paper
| 86-95 |
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Principal Component Analysis of Structural Parameters for Fullerenes
Francisco Torrens
Abstract and PDF Paper
| 96-111 |
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Design of Spin-Polarized Molecular Wire as a Prototypal
Unimolecular Quantum Spin Device
Jotaro Nakazaki, InGwon Chung, Ryoji Watanabe, Toshiyuki Ishitsuka, Yuzo Kawada, Michio M. Matsushita, and Tadashi Sugawara
Abstract and PDF Paper
| 112-127 |
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