引用本文:
Lin Feng LI, Xian Zhang GU, Mu Zhen LIAO, Guo Shi WU. A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS[J]. Chinese Chemical Letters,
1991, 2(3): 253-254.
Citation: Lin Feng LI, Xian Zhang GU, Mu Zhen LIAO, Guo Shi WU. A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS[J]. Chinese Chemical Letters, 1991, 2(3): 253-254.
Citation: Lin Feng LI, Xian Zhang GU, Mu Zhen LIAO, Guo Shi WU. A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS[J]. Chinese Chemical Letters, 1991, 2(3): 253-254.
A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS
摘要:
The chemisorption intensities of NH3 and CO on aluminum clusters Aln (n=l-13) have been theoretically predicted by using CNDO/2 method and properly selecting the clusters'geometries. The results show that the chemisorptions of NH3 and GO on Al2, Al6 and Al12 are magically stable and thus are in good agreement with the experimental results. In addition, an electronic structure analysis is made to expound the nature of such a size effect.
English
A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS
Abstract:
The chemisorption intensities of NH3 and CO on aluminum clusters Aln (n=l-13) have been theoretically predicted by using CNDO/2 method and properly selecting the clusters'geometries. The results show that the chemisorptions of NH3 and GO on Al2, Al6 and Al12 are magically stable and thus are in good agreement with the experimental results. In addition, an electronic structure analysis is made to expound the nature of such a size effect.
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