pentamethyl (B) from N dication analogue. Pentacoordinate boron.
DOI: 10.14469/hpc/2876 Metadata
Created: 2017-08-09 19:27
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 | 1KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 473KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 13MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 3KB | application/xml | Optimised geometry |
| wavefunction.wfn | 481KB | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/3364 | Hexacoordinate carbon and pentacoordinate Nitrogen |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C9H15B/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9- |
| inchi | InChI=1S/C9H15B/c1-6-7(2)9(4)8(6,3)10(6,7,9)5/h1-5H3/t6-,7+,8-,9+ |
| inchi | InChI=1S/C9H15B/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9- |
| inchikey | MEOMEACRDZGYBT-AYMMMOKOSA-N |
| inchikey | AYYGALUDGLHYQT-SPJNRGJMSA-N |
| inchikey | MEOMEACRDZGYBT-AYMMMOKOSA-N |