batho_cpc_4_2008_openaccess.pdf (1.22 MB)
Bathochromic effects in electronic excitation spectra of hydrated Ti zeolites
journal contribution
posted on 2017-10-19, 16:02 authored by gloria tabacchigloria tabacchi, Aldo Gamba, Ettore FoisGreen open access version of the paper:
Bathochromic Effects in Electronic Excitation Spectra of Hydrated Ti Zeolites: A Theoretical Characterization.
Published in:
ChemPhysChem, 2008, 9: 538–543. doi:10.1002/cphc.200700719
which should be cited to refer to this work
Popular summary of this paper at:
http://goo.gl/v17bvW
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- Other chemical sciences not elsewhere classified
- Computational chemistry
- Physical chemistry not elsewhere classified
- Physical properties of materials
- Theoretical quantum chemistry
- Radiation and matter
- Solid state chemistry
- Analytical spectrometry
- Theoretical and computational chemistry not elsewhere classified
- Transition metal chemistry
- Theory and design of materials
- Optical properties of materials
- Condensed matter modelling and density functional theory
- Nanoscale characterisation
Keywords
zeolitesAb initio quantum chemistry methodsUV-visible spectroscopyElectronic Excitation SpectraBathochromic shiftsPorous materialsDFT Calculationssimulation and modellingtitanium sitesTi-zeoliteDensity Functional Theory calculationsElectronic Structure Analysishydration effectsLewis acid binding siteChemical Sciences not elsewhere classifiedComputational ChemistryPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsQuantum ChemistryRadiation and MatterSolid State ChemistryStructural Chemistry and SpectroscopyTheoretical and Computational Chemistry not elsewhere classifiedTransition Metal ChemistryTheory and Design of MaterialsOptical Properties of MaterialsCondensed Matter Modelling and Density Functional TheoryNanoscale Characterisation
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