The "double-headed" Curly arrow in mechanistic representations
DOI: 10.14469/hpc/13171 Metadata
Created: 2023-08-28 08:57
Last modified: 2023-10-12 12:53
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/13172 | Acetyl chloride + HF + water, IRC |
| 10.14469/hpc/13168 | Acetyl chloride + methylamine + water. |
| 10.14469/hpc/13167 | Acetyl chloride + methanol + water, IRC |
| 10.14469/hpc/13169 | Acetyl chloride + methylamine + water, IRC |
| 10.14469/hpc/13170 | Acetyl chloride + methylamine + water, ==> PT,G = -785.735731 |
| 10.14469/hpc/13173 | Acetyl chloride + methylamine + water, PT, IRC |
| 10.14469/hpc/13179 | Acetyl chloride + MeSH, G = -1128.549307, IRC |
| 10.14469/hpc/13178 | Acetyl chloride + carbon ylid IRC |
| 10.14469/hpc/13244 | Acetyl chloride + carbon S-ylid, IRC, G = -1130.636481 |
| 10.14469/hpc/13267 | Acetyl chloride + carbon P-ylid, IRC, G = -1113.737325 |
| 10.14469/hpc/13175 | Acetyl chloride + carbon ylid, IRC |