Konu "Density functional theory" için Fen Fakültesi listeleme
Toplam kayıt 2, listelenen: 1-2
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Atomically dispersed zeolite-supported rhodium complex: Selective and stable catalyst for acetylene semi-hydrogenation
(Elsevier, 2024)Supported rhodium catalysts are known to be unselective for semi-hydrogenation reactions. Here, by tuning the electronic structure of supported mononuclear rhodium sites determined by the metal nuclearity and the electron-donor ... -
Quantum chemistry meets deep learning for complex carbohydrate and glycopeptide species I
(2019)Carbohydrate complexes are crucial in many various biological and medicinal processes. The impacts of N-acetyl on the glycosidic linkage flexibility of methyl β-D-glucopyranose, and of the glycoamino acid β-D-glucopyrano ...