Pentamethyl monocation from N dication analogue; petacoordinate carbon.

DOI: 10.14469/hpc/2872 Metadata

Created: 2017-08-09 12:22

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 1KB chemical/x-gaussian-input Gaussian input file
gaussian.log 178KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 13MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 3KB application/xml Optimised geometry
wavefunction.wfn 481KB chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3364 Hexacoordinate carbon and pentacoordinate Nitrogen

Subject Keywords

KeywordValue
inchi InChI=1S/C10H15/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9-,10+
inchi InChI=1S/C10H15/c1-6-7(2)9(4)8(6,3)10(6,7,9)5/h1-5H3/t6-,7+,8-,9+
inchi InChI=1S/C10H15/c1-6-7(2)9(4)8(6,3)10(7,9)5/h1-5H3/t7-,8+,9-,10+
inchikey VHUWPEYOGBAFFK-YNFQOJQRSA-N
inchikey PXMJRRUWQNEHFP-SPJNRGJMSA-N
inchikey VHUWPEYOGBAFFK-YNFQOJQRSA-N

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