PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bismuth selenide
8222 Bismuth selenide
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ΔHf: 42.0 kcal/mol, REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
GEO-OK FIELD=(0.1,0.2,0.3) PM7
Bismuth selenide
H=42 HR=WEPS1982
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Se 2.32191577 +1 0.0000000 +0 0.0000000 +0 1 0 0