RUWFOE model of two boron units no PT
DOI: 10.14469/hpc/1015 Metadata
Created: 2016-07-18 16:40
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 | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 16MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 4KB | chemical/x-cml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/312 | Amide |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C7H23B2N5O2/c1-7(15,16)13(5)9(12-4)14(6)8(10-2)11-3/h10-13,15H,1-6H3/t7-/m1/s1 |
| inchi | InChI=1S/C7H24B2N5O2/c1-7(15,16)13(5)9(12-4)14(6)8(10-2)11-3/h10-13,15-16H,1-6H3 |
| inchikey | JJFVELXRAKEMEV-SSDOTTSWSA-N |
| inchikey | KUWOLWFFDNTYIV-UHFFFAOYSA-N |