trimethyl silyl enol + Me4N(+).F(-) 5-coordinate intermediate F/O axial

DOI: 10.14469/hpc/550 Metadata

Created: 2016-05-24 08:47

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 2MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 2MB 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

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/C5H12FOSi.C4H12N/c1-5-7-8(2,3,4)6;1-5(2,3)4/h5H,1H2,2-4H3;1-4H3
inchikey PEKPMEIWAMRDEM-UHFFFAOYSA-N

Edit