Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2020
ISSN: 1948-7185,1948-7185
DOI: 10.1021/acs.jpclett.0c02452