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note
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The basis sets used in the calculations with the diatomic LiX (X = F, Cl, Br, and I) models are as follows: Li (10s4p3d/5s4p3d); F (10s4p3d/5s4p3d); Cl (13s10p4d/6s5p4d); Br (17s15p9d/7s6p5d); and I (11s10p7d/4s5p3d).
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more..
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67
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0012281568
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The equilibrium standard electrode potentials have been taken from the Internet
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The equilibrium standard electrode potentials have been taken from the Internet URL http//www.webelements.com
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70
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0012330680
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Work in progress
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Domínguez-Ariza, D.; Sousa, C.; Hartnig, C.; Koper, M. T. M.; Illas, F. Work in progress.
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Domínguez-Ariza, D.1
Sousa, C.2
Hartnig, C.3
Koper, M.T.M.4
Illas, F.5
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