(38a) Prediction of Phase Stability and Transition Pressures in BO2 (B = Ti, V, Ru, Ir) Polymorphs Using DFT+U and Self-Consistent Linear Response Theory
AIChE Annual Meeting
2014
2014 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Applications of DFT+X in Catalysis
Monday, November 17, 2014 - 8:30am to 8:50am
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