Data for: "Electron Transfer and Hydride Transfer Pathways in the Stoltz-Grubbs Reducing System (KOtBu-Et3SiH)"

Dataset

Description

Density Functional Theory (DFT) log files and selected fchk files (for species with spin density presented), for the following paper:
Electron Transfer and Hydride Transfer Pathways in the Stoltz-Grubbs Reducing System (KOtBu-Et3SiH)
Date made available12 Sep 2017
PublisherUniversity of Strathclyde
Date of data productionOct 2016 - Sep 2017

Research Output

Electron transfer and hydride transfer pathways in the Stoltz-Grubbs reducing system (KOtBu-Et3SiH)

Smith, A. J., Young, A., Rohrbach, S., O'Connor, E. F., Allison, M., Wang, H-S., Poole, D. L., Tuttle, T. & Murphy, J. A., 23 Oct 2017, In : Angewandte Chemie International Edition. 56, 44, p. 13747–13751 5 p.

Research output: Contribution to journalArticle

Open Access
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  • 17 Citations (Scopus)
    35 Downloads (Pure)

    Cite this

    Young, A. (Creator) (12 Sep 2017). Data for: "Electron Transfer and Hydride Transfer Pathways in the Stoltz-Grubbs Reducing System (KOtBu-Et3SiH)". University of Strathclyde. Gaussian09_FCHK_Files(.zip), Gaussian09_Log_Files(.zip). 10.15129/fece83f2-ac55-4020-a865-a57aee7d1368