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Chemical physics letters, v.335 no.5/6, 2001년, pp.465 - 474
Gu, Jiande (Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai, 200031 People's Republic of China) , Leszczynski, Jerzy (The Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson State University, 1400 J.R. Lynch Street, P.O. Box 17910, Jackson, MS 39217-0510, USA)
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AbstractTwo conformations of the adenine tetrad were investigated at the HF and B3LYP/6-311G(d,p) levels of theory. Both conformations are predicted to be stable only in the nonplanar form. They adopt the bowl type structure. Since the planar form offers better geometry for stacking with the adjacen...
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