Unexpected Isomerization of Oxetane-Carboxylic Acids – a computational study

DOI: 10.14469/hpc/10862 Metadata

Created: 2022-08-14 07:24

Last modified: 2022-08-17 18:14

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations.

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Associated DOIs

Current dataset ...DOIDescription
References 10.1021/acs.orglett.2c01402 Unexpected Isomerization of Oxetane-Carboxylic Acids
References 10.14469/hpc/10820 FAIR Data for the collection
References 10.14469/hpc/10848 Unexpected Isomerization of Oxetane-Carboxylic Acids – a viable mechanism
References 10.14469/hpc/10858 Unexpected Isomerization of Oxetane-Carboxylic Acids – catalyst design.
References 10.14469/hpc/10861 Unexpected Isomerization of Oxetane-Carboxylic Acids – substrate design.
References 10.14469/hpc/10863 Unexpected Isomerization of Oxetane-Carboxylic Acids - a first look at the mechanism
References 10.14469/hpc/10908 Unexpected Isomerization of Oxetane-Carboxylic Acids – an alternative autocatalytic mechanism evaluated.

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