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bib=F. Tran, L. Kalantari, B. Traoré, X. Rocquefelte, and P. Blaha, Phys. Rev. Mater. '''3''', 0637602 (2019).| | bib=F. Tran, L. Kalantari, B. Traoré, X. Rocquefelte, and P. Blaha, Phys. Rev. Mater. '''3''', 0637602 (2019).| | ||
link=https://doi.org/10.1103/PhysRevMaterials.3.063602 | link=https://doi.org/10.1103/PhysRevMaterials.3.063602 | ||
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Reference|key=stephens:jpc:94|show={{{1}}}| | |||
bib=P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. '''98''', 11623 (1994).| | |||
link=https://doi.org/10.1021/j100096a001 | |||
}} | }} | ||