Effects of methods and basis sets on calculation results using various solvation models by V. M. Gun'ko

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Theoretical analysis of adsorption of various compounds onto hydrophilic and hydrophobic silicas compared to activated carbons by V. M. Gun'ko

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The structural properties of a compound formed by pyrocatechines and iron by i. KARA, R. MAMMADOV, Y. KARA, A. ÖZTÜRK KİRAZ, M. TURAN

Subjects: “…pyrocatechines, phenolic compounds, DFT method…”
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The structural properties of a compound formed by pyrocatechines and iron by i. KARA, R. MAMMADOV, Y. KARA, A. ÖZTÜRK KİRAZ, M. TURAN

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The structural properties of a compound formed by pyrocatechines and iron by İ. KARA, R. MAMMADOV, Y. KARA, A. ÖZTÜRK KİRAZ, M. TURAN

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Charge distribution functions for characterization of complex systems by V. M. Gun’ko

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Quantum-chemically computed integral characteristics of complex nanomaterials by V. M. Gun'ko

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Modeling of binary nanooxides with solid solutions and mixed phases by V. M. Gun’ko

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Chemical environment of water molecules adsorbed on the anatase surface: quantum chemical study by O. V. Smirnova, A. G. Grebenyuk, V. V. Lobanov

Subjects: “…quantum chemical density functional theory (DFT) method…”
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Simulation and calculation of 2, 4, 5, 2', 4', 5' -hexachlorobiphenyl passing from the central axis of single walled carbon nanotube by Leila Mahdavian

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