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The theoretical study of the ground electronic states of GaX (X=F,Cl, and Br) molecules

✍ Scribed by Cao, Yun-Bin; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang


Book ID
123020810
Publisher
Elsevier
Year
2013
Tongue
English
Weight
397 KB
Volume
1016
Category
Article
ISSN
2210-271X

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Theoretical study of XPO (X=H,F,Cl,Br) m
✍ Cristina Puzzarini πŸ“‚ Article πŸ“… 2006 πŸ› Elsevier Science 🌐 English βš– 148 KB

A theoretical study has been performed on the ground state of XPO systems, where XZH, F, Cl, and Br. Structural and molecular properties have been calculated at high level of theory: the CCSD(T) method in conjunction with a hierarchical series of correlation consistent basis sets has been employed.