array(2) { ["lab"]=> string(3) "133" ["publication"]=> string(4) "1211" } Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22− - Theoretical & Computational Chemistry Laboratory | LabXing
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Theoretical & Computational Chemistry Laboratory

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大学 清华大学 / 化学系
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Structural transition in metal-centered boron clusters: from tubular molecular rotors Ta@B21 and Ta@B22+ to cage-like endohedral metalloborospherene Ta@B22−

2017
期刊 Phys. Chem. Chem. Phys.
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Extensive first-principles theory investigations unveil a tubular-to-cage-like structural transition in metal-centered boron clusters at (±)-D2 Ta@B22−, the smallest axially chiral endohedral metalloborospherenes.

  • 卷 19
  • 期 39
  • 页码 27025-27030
  • Royal Society of Chemistry (RSC)
  • ISSN: 1463-9076
  • DOI: 10.1039/c7cp05179d
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