Fluoridation, TS using S NICS(0) and NICS(1) =- 8.8509
DOI: 10.14469/hpc/4707 Metadata
Created: 2018-09-10 10:52
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 4KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 65KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 73MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 0 | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/4713 | Concerted Nucleophilic Aromatic Substitution Mediated by the PhenoFluor Reagent. |