Performance of the TPSS Functional on Predicting Core Level Binding Energies of Main Group Elements Containing Molecules: A Good Choice for Molecules Adsorbed on Metal Surfaces-Reference-Cited by-同舟云学术

Performance of the TPSS Functional on Predicting Core Level Binding Energies of Main Group Elements Containing Molecules: A Good Choice for Molecules Adsorbed on Metal Surfaces

Published:2015-12-22 Issue:1 Volume:12 Page:324-331
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pueyo Bellafont Noèlia¹,Viñes Francesc¹,Illas Francesc¹

Affiliation:

1. Departament de Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain

Funder

Ministerio de Economía y Competitividad

Agència de Gestió d’Ajuts Universitaris i de Recerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00998

Reference44 articles.

1. Microscopic Insights into Methane Activation and Related Processes on Pt/Ceria Model Catalysts

2. SO2 Adsorption on Pt(111) and Oxygen Precovered Pt(111): A Combined Infrared Reflection Absorption Spectroscopy and Density Functional Study

3. Organic Reactions in Ionic Liquids Studied by in Situ XPS

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