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Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB 5 Intermetallics
Berns, Veronica M., Engelkemier, Joshua, Guo, Yiming, Kilduff, Brandon J., Fredrickson, Daniel C.Volume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct500246b
Date:
August, 2014
File:
PDF, 3.53 MB
english, 2014