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- W2075559559 abstract "In this work we present an exhaustive, experimental and theoretical, investigation on the structural, vibrational, electronic, and energetic properties of TS-1 catalyst. The perturbation induced by adsorption of water and ammonia ligands, which represent two key molecules in the industrial processes catalyzed by TS-1, is also discussed in great detail on both experimental and computational ground. Theory and experiments allow us to present a picture able to describe in a satisfactory way the interaction of both molecules with Ti(IV) sites and with the hosting siliceous matrix." @default.
- W2075559559 created "2016-06-24" @default.
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- W2075559559 date "2002-08-29" @default.
- W2075559559 modified "2023-10-17" @default.
- W2075559559 title "Effect of Interaction with H<sub>2</sub>O and NH<sub>3</sub> on the Vibrational, Electronic, and Energetic Peculiarities of Ti(IV) Centers TS-1 Catalysts: A Spectroscopic and Computational Study" @default.
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- W2075559559 doi "https://doi.org/10.1021/jp026106t" @default.
- W2075559559 hasPublicationYear "2002" @default.
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