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| ON THE HYDRATION ACTIVITY OF Ca_2Fe_(2-x)Al_xO_5 WITH COMPUTATIONAL QUANTUM CHEMISTRY |
| CHENG Xin; FENG Xiuji; TONG Damao(Shandong Building Materials Institute) (Wuhan University of Technology)(Correspondent:CHENG Xin;Department of Materials; Shandong Building Materials institute; Jinan 250022) |
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Cite this article:
CHENG Xin; FENG Xiuji; TONG Damao(Shandong Building Materials Institute) (Wuhan University of Technology)(Correspondent:CHENG Xin;Department of Materials; Shandong Building Materials institute; Jinan 250022). ON THE HYDRATION ACTIVITY OF Ca_2Fe_(2-x)Al_xO_5 WITH COMPUTATIONAL QUANTUM CHEMISTRY. Chin J Mater Res, 1996, 10(3): 293-296.
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Abstract In this paper,Ca2 Fe2 O5 (C2 F), Ca2Fe1.43 Al o.57 O5 and Ca2Fe1.28 Al0.72O5 in Ca2Fe(2-x) AlxO5system are investigated with a new SCC-DV-Xa method.The computational models are octahedron and tetrahedron.Through computation with a CYBER-930 computer,follo
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Received: 25 June 1996
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| 1冯修吉,闵新民,陶从喜．武汉工业大学学报,1994,16(2):12NegroA,StaffierL．Zement-Kalk-Gips,1979,32(2):833RosenA,EllisDE．JChemPhys,1976,65:36294BerggrenJ．ActaChemScand,1971,25:36165ColvilleAA,GellerS．ActCryst,1972,B28;3196 |
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