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Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways
Kim, Ki Chul, Kulkarni, Anant D., Johnson, J. Karl, Sholl, David S.Volume:
13
Year:
2011
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c1cp22489a
File:
PDF, 2.45 MB
english, 2011