C2 (triplet) + Dichloromethane, TS
DOI: 10.14469/hpc/8079 Metadata
Created: 2021-04-11 08:22
Last modified: 2021-04-19 07:01
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| DCMCC-tzvppd-freq-triplet-TS.log | 870KB | chemical/x-gaussian-log | Gaussian log file (optimisation) |
| DCMCC-tzvppd-freq-triplet-TS.gjf | 4KB | chemical/x-gaussian-input | Gaussian input |
| DCMCC-tzvppd-freq-triplet-TS.fchk | 5MB | chemical/x-gaussian-checkpoint | Gaussian formatted checkpoint |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/7972 | Reaction between Dichloromethane and CC. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C2.CH2Cl2/c1-2;2-1-3/h;1H2 |
| inchi | InChI=1S/C3H2Cl2/c1-2-6-3(4)5/h3H |
| inchikey | WRWPFXIKFZYHFW-UHFFFAOYSA-N |
| inchikey | DHDZOUGAGMAORP-UHFFFAOYSA-N |