Calculated kinetic isotope effects for acid Catalyzed Furanochromane Formation
DOI: 10.14469/hpc/4513 Metadata
Created: 2018-06-22 13:43
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
13C Calculated isotope efffects for TS, TS1 and TS2.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| isotope.dat | 58KB | application/octet-stream | Input file |
| isotope.out | 79KB | application/octet-stream | Output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3943 | FAIR Data: Reversibility and reactivity in an acid catalyzed cyclocondensation to give furanochromanes , a reaction at the oxonium-Prins vs. ortho-quinone methide cycloaddition mechanistic nexus |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5281/zenodo.19272 | KINISOT. A basic program to calculate kinetic isotope effects using normal coordinate analysis of transition state and reactants. |