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

IECMD 2004, Day 4, December 2


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1. IECMD 2004, paper 33
Density Functional Study on the Highest and Lowest Spin States of [Mn2O2(H2O)8]q+ (q = 0, 2, 4)
Masaki Mitani , Takeharu Katsurada , Yohei Wakamatsu , and Yasunori Yoshioka
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2. IECMD 2004, paper 29
Syn-2,7-disilatetracyclo[6.2.1.13,602,7]dodec-2(7)-ene: Structural Influence of Incorporation of Disilene into Sesquinorbornene Framework: A DFT Study
Davor Margetic , Mario Vazdar , and Mirjana Eckert-Maksic
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3. IECMD 2004, paper 32
Modeling Structure Property Relationships with Kernel Recursive Least Squares
Rajshekhar , Abhijit Kulkarni , Valadi K. Jayaraman , and Bhaskar D. Kulkarni
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4. IECMD 2004, paper 44
QSAR Study on 5-N-Substituted-2-(Substituted Benzenesulphonyl) Glutamines as Antitumor Agents through Synthesis and Biological Evaluation: Part III
Bikash Debnath , Soma Samanta , Shovanlal Gayen , Anindya Basu , Balaram Ghosh , and Tarun Jha
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5. IECMD 2004, paper 14
Property-Based Design Methodology I: Parameters Influencing Solubility
R. DeWitte , E. Kolovanov , and F. Gorohov
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