Mechanism and kinetic isotope effects for protiodecarboxylation of indoles.

DOI: 10.14469/hpc/179 Metadata

Created: 2016-01-02 16:03

Last modified: 2019-05-02 08:32

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Computed kinetic isotope effects for various solvation models for protiodecarboxylation of indoles

Files

FilenameSizeTypeDescription
isotope.dat 47KB application/octet-stream Input data
isotope.out 69KB application/octet-stream Output data

Member of collection / collaboration

DOIDescription
10.14469/hpc/178 Mechanism and kinetic isotope effects for protiodecarboxylation of indoles.

Associated DOIs

Current dataset ...DOIDescription
References 10.1039/P29770000281 Article describing the original experimental results
References 10.14469/spiral/20860 PhD Thesis. Hydrogen transfer reactions of Indoles
References 10.5281/zenodo.19272 Program used to calculated the kinetic isotope effects

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