Determining Relative f and d Orbital Contributions to M-Cl Covalency in MCl(_6)(^2-) (M = Ti, Zr, Hf, U) and UOCl(-5)- Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory
Journal Article
·
· J. Am. Chem. Soc.134:5586-5597,2012
OSTI ID:1095059
- Research Organization:
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC02-76SF00515
- OSTI ID:
- 1095059
- Report Number(s):
- SLAC-REPRINT-2013-795
- Journal Information:
- J. Am. Chem. Soc.134:5586-5597,2012, Journal Name: J. Am. Chem. Soc.134:5586-5597,2012
- Country of Publication:
- United States
- Language:
- English
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