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| File | Description | Size | |
|---|---|---|---|
| Nidppf2-o_ICH2CH2Ph_ha-scan_r_s15_ossts_irc+1_opt_bboss.in | 10.16 kB | Download | |
| output.cml | 450.44 kB | Download |
Referenced by:
Manuscript title: Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0)
Journal: ACS Catal.
Metadata:
| Title: | /Ni_dppf_alkyl/Ni_I_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_oss |
| Authors: | Nelson, David Institute of Chemical Research of Catalonia |
| Keywords: | Structure-activity relationships;Homogeneous catalysis;Reaction mechanisms;Nickel;Halides |
| Issue Date: | 25-Aug-2020 |
| Publisher: | University of Edinburgh University of Glasgow AstraZeneca Institute of Chemical Research of Catalonia University of Strathclyde |
| Related to: | Title: Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0) Journal: ACS Catal. DOI: 10.1021/acscatal.0c02514 |
| Description: | G16 Single Point in Benzene with Large Basis Set - open shell singlet |
| URI: | https://www.iochem-bd.org//handle/10/220891 |
| Appears in Collections: | ACS_Catalysis_10_1021_acscatal_0c02514 |
Please use this identifier to cite or link to this item:
https://www.iochem-bd.org//handle/10/220891
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