TDDFT Calculations of NEXAFS Spectra of Model Systems for SO2 Adsorbed on the MgO (100) Surface-Reference-Cited by-同舟云学术

TDDFT Calculations of NEXAFS Spectra of Model Systems for SO2 Adsorbed on the MgO (100) Surface

Published:2007-08-22 Issue:36 Volume:111 Page:13554-13563
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

De Francesco R.¹,Stener M.¹,Fronzoni G.¹

Affiliation:

1. Dipartimento di Scienze Chimiche, Università di Trieste, Via L. Giorgieri 1, 34127 Trieste, ITALY, and Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali, INSTM, Unità di Trieste, and INFM DEMOCRITOS National Simulation Center, Trieste, Italy

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp072710y

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4. Time dependent density functional investigation of the near-edge absorption spectra of V2O5

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