Checking a conclusion we made in 1987: Tetrahedral intermediates formed by nitrogen and oxygen attack of aromatic hydroxylamines on acetyl cyanide
DOI: 10.14469/hpc/10593 Metadata
Created: 2022-06-10 09:04
Last modified: 2022-06-11 07:06
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/10599 | 4: PhOHN-C TI CN app to N lp G = -608.597143 => OH conformer G = -608.598472 nmr spin spin |
| 10.14469/hpc/10600 | 4: PhOHN-C TI CN app to N lp G = -608.597143 => OH conformer G = -608.598472 NBO |
| 10.14469/hpc/10596 | 4: PhOHN-C TI CN app to N lp G = -608.597143 => OH conformer G = -608.598472 |
| 10.14469/hpc/10584 | 4: PhOHN-C TI CN app to N lp G = -608.597143 |
| 10.14469/hpc/10583 | 4: PhOHN-C TI OH app to N lp G = -608.594638 |
| 10.14469/hpc/10585 | 4: PhOHN-C TI CN app to N lp G = -608.597143 nmr spin spin |
| 10.14469/hpc/10582 | 3: PhNHO-C TI CN app to N lp G = -608.592476 |
| 10.14469/hpc/10586 | 3: PhNHO-C TI CN app to N lp G = -608.592476, NMR spin-spin |
| 10.14469/hpc/10598 | 3: PhNHO-C TI CN app to N lp NHPh conformer G =-608.600542, NMR spin-spin |
| 10.14469/hpc/10594 | 3: PhNHO-C TI CN app to N lp NHPh conformer G =-608.600542 |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.1021/jo00389a050 | Tetrahedral intermediates formed by nitrogen and oxygen attack of aromatic hydroxylamines on acetyl cyanide |