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The germanium clusters Ge (n = 1-6) and their anions: Structures, thermochemistry and electron affinities

Molecular Physics, ISSN: 0026-8976, Vol: 102, Issue: 6, Page: 579-598
2004
  • 34
    Citations
  • 0
    Usage
  • 13
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    34
    • Citation Indexes
      34
  • Captures
    13

Article Description

The structures, electron affinities, dissociation energies of the Ge /Ge (n=1-6) species were analyzed by using pure density functional theory (DFT) and six different hybrids. Three types of electron affinities such as adiabatic electron affinity (EA), vertical electron affinity (EA) and the vertical detachment energy (VDE) were observed for the system. It was also observed that the Hartree-fock/DFT hybrid methods were shorter and prdict more reliable bond lengths than the pure DFT methods. The results show that the B3LYP method was used for predicting the vibrational frequencies of the germanium clusters.

Bibliographic Details

Wenguo Xu; Yi Zhao; Qianshu Li; Yaoming Xie; Henry F. Schaefer III

Informa UK Limited

Biochemistry, Genetics and Molecular Biology; Physics and Astronomy; Chemistry

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