Gallane-arsine, H sub 3 Gater dot AsH sub 3 : Prediction of a stable Ga-As bonded species
The structure, harmonic frequencies, and binding energy of the simplest gallane-arsine molecular adducts have been calculated with ab initio molecular orbital methods. H{sub 3}Ga{center dot}AsH{sub 3} is predicted to have a binding energy of 16 kcal mol{sup {minus}1} (MP4/HUZSP{sup **}//RHF/HUZSP{su...
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Veröffentlicht in: | Journal of physical chemistry (1952) 1990-06, Vol.94:13 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | The structure, harmonic frequencies, and binding energy of the simplest gallane-arsine molecular adducts have been calculated with ab initio molecular orbital methods. H{sub 3}Ga{center dot}AsH{sub 3} is predicted to have a binding energy of 16 kcal mol{sup {minus}1} (MP4/HUZSP{sup **}//RHF/HUZSP{sup *}) and should be observable in the gas phase. |
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ISSN: | 0022-3654 1541-5740 |
DOI: | 10.1021/j100376a006 |