| Study on the C_(60)-Caged States of H_2 and N_2 |
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| 引用本文： | Li Jin XU, Chuan Bao ZHU, Ji Min YAN(Institute of Chemistry,Chinese Academy of Sciences,Beijing 100080). Study on the C_(60)-Caged States of H_2 and N_2[J]. 中国化学快报, 1998, 0(8) |
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| 作者姓名： | Li Jin XU Chuan Bao ZHU Ji Min YAN(Institute of Chemistry Chinese Academy of Sciences Beijing 100080) |
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| 作者单位： | Institute of Chemistry，Chinese Academy of Sciences，Beijing 100080 |
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| 摘 要： | Overthepasttenyears,thediscoveryandadvancesinfullerenechemistryhavegreatlybroadenedourknowledgeandvisualfie1dl4.Itcanbesaidthatthissubjectwillstillbeconsideredasanimportantoneandwil1developintensively.OnthebasisofknowledgeandaseriesofourworkabouttheendohedralcomplexesofCso,onthisnote,wewouldliketotaketheCoocageasaprototypetostudythepropertiesofthecageforcefield,namelyhowthepropertiesofsmallmoleculessuchasH2,N2,etc.,insidetheCoocage,areeffected.ComputationalmethodandresultsInthiswork,wecarryo…
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Study on the C_(60)-Caged States of H_2 and N_2 |
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| Li Jin XU, Chuan Bao ZHU, Ji Min YAN. Study on the C_(60)-Caged States of H_2 and N_2[J]. Chinese Chemical Letters, 1998, 0(8) |
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| Authors: | Li Jin XU Chuan Bao ZHU Ji Min YAN |
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| Abstract: | The states of small molecule H2 and N2 in the Coo cage have been studied. It is shown that the molecular stable configUrations of the caged states exhibits little change compared with the free states, but the bond intensities of the caged states have become much stronger. |
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| Keywords: | C_(60) cage force field caged state bond intensity |
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