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Systematic investigation of the molecular behavior of C50X2 (X???=???H,F): An echo of the H/F parallels on structures and energetics among their derivativesElectronic supplementary information (ESI) available: Heats of formation, ionization potential (IP), electron affinity (EA) and the HOMO???LUMO energy gap for all possible isomers of C50X2 (X???=???H,F); the results of POAV analysis for several prototypical C50F2 isomers; electronic absorption spectra. See http://www.rsc.org/suppdata/cp/b2/b206653j/
Xu, Xiufang, Xing, Yumei, Liang, Yunxiao, Shang, Zhenfeng, Wang, Guichang, Cai, Zunsheng, Pan, Yinming, Zhao, XuezhuangVolume:
4
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b206653j
Date:
November, 2002
File:
PDF, 471 KB
english, 2002