Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation

Chen, Wei; Sun, Lixin; Kozinsky, Boris; Friend, Cynthia M.; Kaxiras, Efthimios; Sautet, Philippe; Madix, Robert J.

doi:10.7910/DVN/ZJKNQE

Title: Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation

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Abstract

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

Authors:

Chen, Wei; Sun, Lixin; Kozinsky, Boris; Friend, Cynthia M.; Kaxiras, Efthimios; Sautet, Philippe; Madix, Robert J.

Harvard Univ., Cambridge, MA (United States); OSTI
Harvard Univ., Cambridge, MA (United States)
Univ. of California, Los Angeles, CA (United States)

Publication Date:: Fri Jul 09 00:00:00 EDT 2021

DOE Contract Number:: SC0012573

Research Org.:: Harvard Univ., Cambridge, MA (United States). Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC) (EFRC)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

OSTI Identifier:: 1873083

DOI:: https://doi.org/10.7910/DVN/ZJKNQE

Citation Formats


                    Chen, Wei, Sun, Lixin, Kozinsky, Boris, Friend, Cynthia M., Kaxiras, Efthimios, Sautet, Philippe, and Madix, Robert J. Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation.  United States: N. p., 2021. 
        Web.  doi:10.7910/DVN/ZJKNQE.

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                    Chen, Wei, Sun, Lixin, Kozinsky, Boris, Friend, Cynthia M., Kaxiras, Efthimios, Sautet, Philippe, & Madix, Robert J. Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation.  United States.  doi:https://doi.org/10.7910/DVN/ZJKNQE

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                    Chen, Wei, Sun, Lixin, Kozinsky, Boris, Friend, Cynthia M., Kaxiras, Efthimios, Sautet, Philippe, and Madix, Robert J. 2021.  
"Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation".  United States.  doi:https://doi.org/10.7910/DVN/ZJKNQE.  https://www.osti.gov/servlets/purl/1873083. Pub date:Fri Jul 09 00:00:00 EDT 2021

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@article{osti_1873083,

  title        = {Replication Data for: The effect of frustrated rotations on the pre-exponential factor for unimolecular reactions on surfaces: a case study of alkoxy dehydrogenation},

  author       = {Chen, Wei and Sun, Lixin and Kozinsky, Boris and Friend, Cynthia M. and Kaxiras, Efthimios and Sautet, Philippe and Madix, Robert J.},

  abstractNote = {The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.},

  doi          = {10.7910/DVN/ZJKNQE},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 09 00:00:00 EDT 2021},

  month        = {Fri Jul 09 00:00:00 EDT 2021}

}

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DOI: https://doi.org/10.7910/DVN/ZJKNQE

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