(R)-2-(2-chlorophenyl)-5-phenyl-1,3,2-dioxaborolan-4-one, chloroform
DOI: 10.14469/hpc/3902 Metadata
Created: 2018-03-14 07:02
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 | 635KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 18MB | 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/3900 | The use of 11B NMR for identifying reaction intermediates. |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C14H10BClO3/c16-12-9-5-4-8-11(12)15-18-13(14(17)19-15)10-6-2-1-3-7-10/h1-9,13H/t13-/m1/s1 |
inchikey | LTGVOJZNVUSUMB-CYBMUJFWSA-N |