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Theoretical study on conformational conversion of 1,3-dioxane inside a capsular host 被引量:2
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作者 Ju Wang Zuo Yin Yang +2 位作者 Xiu Li Wang Jing Chang Zhang wei liang cao 《Chinese Chemical Letters》 SCIE CAS CSCD 2007年第2期244-246,共3页
关键词 Complex Cylindrical capsular host Quantum chemistry Reaction mechanism
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MM CALCULATIONS OF THE METAL-PROTEIN MODEL COMPLEXES Ⅰ.MOLECULAR FORCE FIELD FOR COBALT COMPEXES
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作者 wei liang cao Hong You GUO +2 位作者 Shi Lei XUE Xin Gang Ren Zuo Xing WangBeijing Institute of Chemical Technology,Beijing 100029 《Chinese Chemical Letters》 SCIE CAS CSCD 1992年第5期393-396,共4页
Cobalt-protein complexes play an important role in biochemical processes.The structure of the model molecule,Co(H_2O)_3SO_4(phen) has been studied by molecular mechanics.The molecular force field (MM2) parameters have... Cobalt-protein complexes play an important role in biochemical processes.The structure of the model molecule,Co(H_2O)_3SO_4(phen) has been studied by molecular mechanics.The molecular force field (MM2) parameters have been developed for the particular class of the complexes. 展开更多
关键词 CO MM CALCULATIONS OF THE METAL-PROTEIN MODEL COMPLEXES MOLECULAR FORCE FIELD FOR COBALT COMPEXES 耳卜
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