期刊
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 709, 期 1-3, 页码 109-115出版社
ELSEVIER
DOI: 10.1016/j.theochem.2004.06.025
关键词
electronic structure; organometallic complexes; frontier molecular orbital
The electronic and geometrical structures Of [(C5Me5)(2)Sm](2)[mu-eta(2) :eta(2)X(2)] (X = Bi, N and NH), in which the entity X-2 is solely bonded to Samarium atom, are analyzed and compared by use of molecular orbital calculations. (C) 2004 Elsevier B.V. All rights reserved.
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