Norbornyl cation with 7H2O + Cl(-) wB97XD freq
DOI: 10.14469/hpc/2411 Metadata
Created: 2017-04-01 08:44
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
Filename | Size | Type | Description |
---|---|---|---|
input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
gaussian.log | 346KB | chemical/x-gaussian-log | Gaussian log file |
checkpoint.fchk | 28MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
cml.xml | 4KB | chemical/x-cml | Optimised geometry |
wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
N.log | 198KB | chemical/x-gaussian-log | Gaussian log mass weighted to remove mixing |
Member of collection / collaboration
DOI | Description |
---|---|
10.14469/hpc/333 | blog |
Subject Keywords
Keyword | Value |
---|---|
inchi | InChI=1S/C7H11.Cl.7H2O/c1-2-7-4-3-6(1)5-7;;;;;;;;/h1,6-7H,2-5H2;;7*1H2/t6-,7+;;;;;;;;/m1......../s1 |
inchikey | RREXRANBIOAHBD-HTVAQIHQSA-N |