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CHI Xian-xing, TIAN Shan-xi, ZHUANG You-yi, XU Ke-zun. Theoretical Study on Stable Structures of Aluminium Cluster: Al5+[J]. Nuclear Physics Review, 2002, 19(Suppl): 121-123. doi: 10.11804/NuclPhysRev.19.S1.121
Citation: CHI Xian-xing, TIAN Shan-xi, ZHUANG You-yi, XU Ke-zun. Theoretical Study on Stable Structures of Aluminium Cluster: Al5+[J]. Nuclear Physics Review, 2002, 19(Suppl): 121-123. doi: 10.11804/NuclPhysRev.19.S1.121
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Theoretical Study on Stable Structures of Aluminium Cluster: Al5+

doi: 10.11804/NuclPhysRev.19.S1.121

  • 1 Department of Physics; WenZhou Normal College; WenZ hou 325003; China;2 Open Laboratory of Bond-selective Chemistry; Laboratory of Atomic and Molec ular Physic;

  • Received Date: 1900-01-01
  • Rev Recd Date: 1900-01-01
  • Publish Date: 2002-07-20
  • Four methods (B3LYP,B3PW91,PW91PW91,SVWN) of density fun ctional theory with the polarized split-valence basis sets 6-311+G(3df) have been adopted to further i nvestigate the stable structures and the spin multiplicities for Al + 5 cluste rs. Six possible structures with different spin multiplicities for aluminium clu ster Al + 5 have been investigated respectively. A new most stable structure and spin multiplicity for aluminium cluster Al+5 has been found, that is ...
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Theoretical Study on Stable Structures of Aluminium Cluster: Al5+

doi: 10.11804/NuclPhysRev.19.S1.121
  • 1 Department of Physics; WenZhou Normal College; WenZ hou 325003; China;2 Open Laboratory of Bond-selective Chemistry; Laboratory of Atomic and Molec ular Physic;
  • Received Date: 1900-01-01
  • Rev Recd Date: 1900-01-01
  • Publish Date: 2002-07-20

Abstract:  Four methods (B3LYP,B3PW91,PW91PW91,SVWN) of density fun ctional theory with the polarized split-valence basis sets 6-311+G(3df) have been adopted to further i nvestigate the stable structures and the spin multiplicities for Al + 5 cluste rs. Six possible structures with different spin multiplicities for aluminium clu ster Al + 5 have been investigated respectively. A new most stable structure and spin multiplicity for aluminium cluster Al+5 has been found, that is ...

CHI Xian-xing, TIAN Shan-xi, ZHUANG You-yi, XU Ke-zun. Theoretical Study on Stable Structures of Aluminium Cluster: Al5+[J]. Nuclear Physics Review, 2002, 19(Suppl): 121-123. doi: 10.11804/NuclPhysRev.19.S1.121
Citation: CHI Xian-xing, TIAN Shan-xi, ZHUANG You-yi, XU Ke-zun. Theoretical Study on Stable Structures of Aluminium Cluster: Al5+[J]. Nuclear Physics Review, 2002, 19(Suppl): 121-123. doi: 10.11804/NuclPhysRev.19.S1.121
shu

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