Journal of chemical theory and computation

Electron-Impact Ionization Cross Sections of Molecules Containing Heavy Elements (Z> 10)

GE Scott, KK Irikura

文献索引：Vass, Gabor; Tarczay, Gyoergy; Magyarfalvi, Gabor; Boedi, Andras; Szepes, Laszlo Organometallics, 2002 , vol. 21, # 13 p. 2751 - 2757

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被引用次数: 5

摘要

... Volume: Page: ... Molecular geometries were computed using the B3LYP hybrid density functional 13,14 with the 6-31G(d) [3-21G(d)] basis sets, with all electrons explicit ... 6 , C 2 HCl 5 , C 2 Cl 4 , 1,1,1,2-C 2 H 2 Cl 4 , and 1,1,2,2-C 2 H 2 Cl 4 ; 7 CCl 4 ; 7,21,22 TiCl ...