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Title: An analysis of the conformation and electronic structure of newly synthesized cryptand
Authors: Abbasoglu, Riza
Gok, Yasar
Issue Date: May-2003
Publisher: NISCAIR-CSIR, India
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.
Page(s): 1013-1015
ISSN: 0975-0975(Online); 0376-4710(Print)
Appears in Collections:IJC-A Vol.42A(05) [May 2003]

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