Repozytorium
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Inne
Trimers and tetramers of MH and MH3 (M=Al.,Ga): theoretical study.
Autorzy
Rok wydania
2006
Czasopismo
Numer woluminu
327
Strony
247-260
DOI
10.1016/j.chemphys.2006.04.015
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
We have investigated systematically structures and stabilities of trimers and tetramers of the MH and MH 3 hydrides (M=Al, Ga) based on density functional and coupled-cluster calculations. Of these oligomers, higher alanes and gallanes M 3 H 9 and M 4 H 12 have been recently matrix isolated (M=Al) or suggested to be discrete “building blocks” of the respective crystal (M=Ga). More insights into the bonding of these clusters were gained via atoms in molecules analysis.
Adres publiczny
http://dx.doi.org/ 10.1016/j.chemphys.2006.04.015
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