DOI: 10.14469/hpc/12563 Metadata

Created: 2023-05-18 06:16

Last modified: 2023-05-18 13:18

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

Filename	Size	Type	Description
triphenylsilimidate-13-8-6-2-2-2-4.gjf	4KB	chemical/x-gaussian-input	Gaussian input file
triphenylsilimidate-13-8-6-2-2-2-4.log	2MB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	105MB	chemical/x-gaussian-checkpoint	Formatted checkpoint file
opt.cml	9KB	chemical/x-cml	Optimised geometry
Rawbinaryarray.baf	176MB	chemical/x-rawbinaryarray	Raw Binary Array File

Member of collection / collaboration

DOI	Description
10.14469/hpc/12480	On the Use of Triarylsilanols as Catalysts for Direct Amidation of Carboxylic Acids

Subject Keywords

Keyword	Value
Gibbs_Energy	-1733.408544
inchi	InChI=1S/C34H31NOSi/c1-28-22-24-30(25-23-28)27-35(34(36)26-29-14-6-2-7-15-29)37(31-16-8-3-9-17-31,32-18-10-4-11-19-32)33-20-12-5-13-21-33/h2-25H,26-27H2,1H3
inchikey	SOJMQJNDMXRINY-UHFFFAOYSA-N

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