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Publication : international journal of quantum chemistry

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Local characteristics of the electronic structure of MgO: LCAO and plane-wave calculations.

Authors : Evarestov, R. A.¹ (AUTHOR) ; Smirnov, V. P.² (AUTHOR); Tupitsyn, I. I.³ (AUTHOR)

Source: International Journal of Quantum Chemistry. 2005, Vol. 104 Issue 2, p110-113. 4p. 2 Charts, 2 Graphs.

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Recent development of atom-pairwise van der waals corrections for density functional theory: From molecules to solids.

Authors : Kim, Minho¹; Kim, Won June²; Lee, Eok Kyun²

Source: International Journal of Quantum Chemistry. Apr2016, Vol. 116 Issue 8, p598-607. 11p.

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The chemical bond overlap plasmon as a tool for quantifying covalency in solid state materials and its applications to spectroscopy.

Authors : Moura, Renaldo T.¹ (AUTHOR); Malta, Oscar L.¹ (AUTHOR); Longo, Ricardo L.¹ (AUTHOR)

Source: International Journal of Quantum Chemistry. 2011, Vol. 111 Issue 7/8, p1626-1638. 13p. 5 Diagrams, 5 Charts, 3 Graphs.

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