Kinetic isotope effects
DOI: 10.14469/hpc/7173 Metadata
Created: 2020-05-08 07:24
Last modified: 2020-05-09 07:06
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Deuterium kinetic isotope effects.
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| isotope.dat | 6KB | application/octet-stream | Input file |
| isotope.out | 9KB | application/octet-stream | Output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7172 | Choreographing a chemical ballet: what happens if you change one of the actors? |
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. |