Table S4: Data for the DFT calculations as illustrated in Figure 5 and Figure S8

DOI: 10.14469/hpc/279 Metadata

Created: 2016-02-29 17:48

Last modified: 2019-02-05 16:48

Author: Charles ROMAIN

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Data for the DFT calculations as illustrated in Figure 5 and Figure S8. DFT protocol: # rwb97xd/6-31G(d) scrf=(cpcm,solvent=dichloromethane) NoSymm temperature=353.15 K

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Table S4.docx 16KB application/octet-stream Table S4 : Data for the DFT calcuations Fig 5 and S8

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DOIDescription
10.14469/hpc/278 Figure 5, Figure S8: ε-CL ROP propagation compared to CHO or CO2 insertion

Subject Keywords

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inchikey Open Babel 2.3.90 -- Nov 10 2015 -- 17:34:14

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