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HeI Photoelectron Spectroscopy and Quantum Chemistry Studies of Thiazolidine-merocyanine
Author(s): 
Pages: 195-197
Year: Issue:  2
Journal: JOURNAL OF HEBEI NORMAL UNIVERSITY(NATURAL SCIENCE EDITION)

Keyword:  含噻唑环部花青UPSRHF/6-31G方法;
Abstract: 首次报道了含噻唑环部花青化合物的紫外光电子能谱(UPS),并对这类化合物的气相HeI UPS进行了研究.利用Gaussian 94程序的量子化学从头算方法进行了计算,并结合计算结果对各个分子体系的谱图进行了指认.
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