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note
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12 were chosen according to ref 32 (Γ(0, 0, 0); A(0, 0, - 1/2); M(-1/2, 1/2, 1/2); L(0, 1/2, 1/2); V(0, 1/2, 0); Z(-1/2, 1/2, 0)].
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28
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0003517634
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Whangbo, M.-H.; Evain, M.; Hughbanks, T.; Kertesz, M.; Wijeyesekera, S.; Wilker, C.; Zheng, C.; Hoffmann, R. Program EHMACC: Extended Hückel Molecular and Crystal Calculations.
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Program EHMACC: Extended Hückel Molecular and Crystal Calculations
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Whangbo, M.-H.1
Evain, M.2
Hughbanks, T.3
Kertesz, M.4
Wijeyesekera, S.5
Wilker, C.6
Zheng, C.7
Hoffmann, R.8
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29
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0342370801
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note
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30,31
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