Diphenyldiboronic acid + H2O, with B-O bond dissociated. ΔG=-816.194580
DOI: 10.14469/hpc/5026 Metadata
Created: 2019-02-09 15:23
Last modified: 2019-02-15 19:21
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 3MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 19MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 3KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/5030 | A solid-supported arylboronic acid catalyst for direct amidation |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -816.194580 |