| Applications of density functional theory to biological systems | Molecular orbital calculations for biological systems |  | | 1998 | 66 | 0 |
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| Investigation of the structural and acidic properties of bulk offretite using first principles molecular dynamics | Thermodynamic modeling and materials data engineering | | | 1998 | 70 | 0 |
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| Quantum chemistry techniques applied to the modelling of the enantioselective hydrogenation mechanism of α-ketoesters | Modeling complex data for creating information | | | 1996 | 70 | 0 |
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