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)
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Support for the UKCP consortium
funded by
EPSRC
Abstract
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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
Parent Publication: Frontiers in Chemistry
ISSN: 2296-2646