(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

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
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

DOIDescription
10.14469/hpc/3900 The use of 11B NMR for identifying reaction intermediates.

Subject Keywords

KeywordValue
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

Edit