Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
wB97XD_finegridCPHF_RuCH2-CAAC_Py_C3_CH2_py_prime.inpDownload
output.cmlDownload
Referenced by:

Manuscript title: Bimolecular Coupling in Olefin Metathesis: Correlating Structure and Decomposition for Leading and Emerging Ruthenium−Carbene Catalysts

Journal: J. Am. Chem. Soc.

DOI: 10.1021/jacs.1c04424

Metadata:

Title: /GeomOpt_wB97XD M84
Authors: Foscato, Marco
Issue Date: 17-Mar-2021
Publisher: University of Bergen
Description: gas phase geometry optimization + frequencies
URI: https://iochem-bd.bsc.es/browse/handle/100/197538
Appears in Collections:BMC - DOI: 10.19061/iochem-bd-6-79



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/197538

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