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33644998421
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note
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The initial structures of 1-3 were generated by geometrical optimizaton performed by molecular mechanics calculations (MMFF94 force field) followed by semi-empirical molecular orbital calculations (MOPAC PM3 level), using a Spartan '02 program package; Wavefunction, Inc., Irvine, California.
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49
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33645002704
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note
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The molecular modelling was performed at the MOPAC PM3 level using the winMOPAC 3.5 professional program package; Fujitsu Co., Chiba, Japan.
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50
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0033591459
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Inter-subunit interactions to stabilize the homohelicity structure was also found in the homohelical ZnBL dimer with a chiral cyclohexane-1,2-dioxy spacer: see, S. Yagi, N. Sakai, R. Yamada, H. Takahashi, T. Mizutani, T. Takagishi, S. Kitagawa, and H. Ogoshi Chem. Commun. 1999 911 912
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54
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33645009786
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note
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1H NMR time scale under the present conditions, whereas the interconversion among the three conformers was slower.
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