Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy | NSF Public Access Repository

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Citation Details

Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy

Award ID(s):: 1653392

PAR ID:: 10212142

Author(s) / Creator(s):: Griego, Charles D.; Kitchin, John R.; Keith, John A.

Date Published:: 2021-01-05

Journal Name:: International Journal of Quantum Chemistry

Volume:: 121

Issue:: 1

ISSN:: 0020-7608

Format(s):: Medium: X

Sponsoring Org:: National Science Foundation

Free Publicly Accessible Full Text
Accepted Manuscript
Journal Article:
https://doi.org/10.1002/qua.26380