Corresponding Orbitals Derived from Periodic Bloch States for Electron Transfer Calculations of Transition Metal Oxides
Author:
Funder
U.S. Department of Energy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01180
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1. The cycling of iron in natural environments: Considerations based on laboratory studies of heterogeneous redox processes
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