Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization

Ye, Jingyun; Gagliardi, Laura; Cramer, Christopher J.; Truhlar, Donald G.

doi:10.1016/j.jcat.2017.12.007

Title: Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization

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Authors:: Ye, Jingyun; Gagliardi, Laura; Cramer, Christopher J.; Truhlar, Donald G.

Publication Date:: Sun Apr 01 00:00:00 EDT 2018

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

OSTI Identifier:: 1548631

Grant/Contract Number:: SC0012702

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Catalysis

Additional Journal Information:: Journal Name: Journal of Catalysis Journal Volume: 360 Journal Issue: C; Journal ID: ISSN 0021-9517

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

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                    Ye, Jingyun, Gagliardi, Laura, Cramer, Christopher J., and Truhlar, Donald G. Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization.  United States: N. p., 2018. 
Web.  doi:10.1016/j.jcat.2017.12.007.

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                    Ye, Jingyun, Gagliardi, Laura, Cramer, Christopher J., & Truhlar, Donald G. Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization.  United States.  https://doi.org/10.1016/j.jcat.2017.12.007

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                    Ye, Jingyun, Gagliardi, Laura, Cramer, Christopher J., and Truhlar, Donald G. Sun .  
"Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization".  United States.  https://doi.org/10.1016/j.jcat.2017.12.007.

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@article{osti_1548631,

  title        = {Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization},

  author       = {Ye, Jingyun and Gagliardi, Laura and Cramer, Christopher J. and Truhlar, Donald G.},

  abstractNote = {},

  doi          = {10.1016/j.jcat.2017.12.007},

  journal      = {Journal of Catalysis},

  number       = C,

  volume       = 360,

  place        = {United States},

  year         = {Sun Apr 01 00:00:00 EDT 2018},

  month        = {Sun Apr 01 00:00:00 EDT 2018}

}

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