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The case of formic acid on anatase TiO2 (101): where is the acid proton?
Version 2 2019-08-01, 17:04
Version 1 2019-08-01, 17:03
journal contribution
posted on 2019-08-01, 17:04 authored by gloria tabacchigloria tabacchiSubmitted pre-peer-reviewed version of the communication:
The case of formic acid on (101) anatase TiO2: where is the acid proton?
By:
Gloria Tabacchi, Marco Fabbiani, Lorenzo Mino, Gianmario Martra, Ettore Fois
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https://onlinelibrary-wiley-com.insubria.idm.oclc.org/share/VFX9MNFPM4XNQRYBWSPJ?target=10.1002/anie.201906709
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Uninsubria FAR2017
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formic acidTiO2titaniaproton delocalizationQuantum Delocalizationzero point energymodeling and simulationssurface chemistryVibrational SpectroscopyFirst Principles Molecular Dynamicsmodelingcomputational modelssurface sciencedensity functional calculationstitanium dioxideanataseTiO2-anataseIRRASsurface reactivitysurface processesinfrared spectroscopyChemical Sciences not elsewhere classifiedColloid and Surface ChemistryComputational ChemistryPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsQuantum ChemistryTheoretical and Computational Chemistry not elsewhere classified
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