Actions:

View dataDownload geometry
Files in This Item:
File Description Size 
Nidppf2-o_ICH2CH2Ph_ha-scan_r_s15_ossts_irc+1_opt_bbt.in10,14 kBDownload
output.cml445,76 kBDownload
Referenced by:

Manuscript 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

Metadata:

Title: /Ni_dppf_alkyl/Ni_I_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_triplet
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 - triplet
URI: https://www.iochem-bd.org//handle/10/220892
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/10/220892

Item files in Find  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License