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
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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
Informa UK Limited
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