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First Principles Calculations on the Stoichiometric and Defective (101) Anatase Surface and Upon Hydrogen and H2Pc Adsorption: The Influence of Electronic Exchange and Correlation and of Basis Set Approximations. (2019)

First Author: Martínez-Casado R

Attributed to: Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.3389/fchem.2019.00220

PubMed Identifier: 31106189

Publication URI: http://europepmc.org/abstract/MED/31106189

Type: Journal Article/Review

Volume: 7

Parent Publication: Frontiers in chemistry

ISSN: 2296-2646