MeB(NR2)(N(TMS))2 + CO2 N-adduct React TZVPP

DOI: 10.14469/hpc/694 Metadata

Created: 2016-06-30 14:14

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 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 398KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 21MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 5KB chemical/x-cml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/312 Amide

Subject Keywords

KeywordValue
inchi InChI=1S/C9H27BN2Si2.CO2/c1-10(11(2)3)12(13(4,5)6)14(7,8)9;2-1-3/h1-9H3;
inchikey YHLWQQRGFKKNKX-UHFFFAOYSA-N

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