Basis set effects on the structure of isomeric nitroanilines: the role of basis set expansion, additional diffuse and polarization functions within the frame of DFT and MP2 approac... by Omelchenko, I.V., Shishkin, O.V.

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A semiempirical description of functionalized nanodiamonds with NV- color centers by Luzanov, A.V., Zhikol, O.A., Omelchenko, I.V., Nizovtsev, A.P., Kilin, S.Ya., Puchkarchuk, A.L., Puchkarchuk, V.A.

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Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes by Zhikol, O.A., Luzanov, A.V., Omelchenko, I.V., Pushkarchuk, A.L., Pushkarchuk, V.A., Nizovstev, A.P., Kilin, S.Ya., Bezyazychnaya, T.V., Kuten', S.A.

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