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COMPUTATIONAL MATERIALS SCIENCE, vol. 21, no. 3, page. 291 - 300, 2001-07
JOURNAL OF PHYSICAL CHEMISTRY B, vol. 106, no. 8, page. 2061 - 2064, 2002-02-28
JOURNAL OF ORGANIC CHEMISTRY, vol. 68, no. 6, page. 2467 - 2470, 2003-03-21
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