Journal
AUSTRALIAN JOURNAL OF CHEMISTRY
Volume 64, Issue 3, Pages 339-344Publisher
CSIRO PUBLISHING
DOI: 10.1071/CH10373
Keywords
-
Categories
Funding
- National Science Foundation of China [10947141, 10804027]
- Foundation of Henan Province Education Department [2010B140003]
Ask authors/readers for more resources
Quantum chemical calculations of the structures and stabilities of the MKr42+ series at the CCSD(T) theoretical level have been performed. The role of the interaction was investigated using the natural bond orbital (NBO), Laplacian, electron density deformation, electron localization function and reduced density gradient analysis. The results show that a covalent contribution occurs in the Kr-M2+ bonding.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
