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|Title:||An analysis of the conformation and electronic structure of newly synthesized cryptand|
|Abstract:||Using molecular mechanical methods (MM2, AMBER, OPLS), a conformational analysis of a newly synthesized cryptand is made and its stable conformations are determined. The electronic structures of the stable conformations are analysed by the AM1 method, and its donor-acceptor characteristics are investigated.|
|Appears in Collections:||IJC-A Vol.42A(05) [May 2003]|
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