What is the largest angle possible at 4-coordinate carbon?
DOI: 10.14469/hpc/11148 Metadata
Created: 2022-09-11 06:23
Last modified: 2022-09-12 07:16
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/11147 | XAQHIH candidate for smallest angle at 4-coordinate carbon (43) 66.5 deviant from tetrahedral |
| 10.14469/hpc/11150 | VAJHAP, NBO |
| 10.14469/hpc/11151 | VAJHAP, candidate for largest angle at 4-coordinate carbon => CH2 to open angle, NBO Wiberg |
| 10.14469/hpc/11154 | VAJHAP, candidate for largest angle at 4-coordinate carbon => none |
| 10.14469/hpc/11149 | VAJHAP, candidate for largest angle at 4-coordinate carbon => CH2 to open angle |
| 10.14469/hpc/11152 | VAJHAP, candidate for largest angle at 4-coordinate carbon => O 184.4 |
| 10.14469/hpc/11145 | CAZFUE, candidate for smallest angle at 4-coordinate carbon, 48, C2 |
| 10.14469/hpc/11155 | VAJHAP, candidate for largest angle at 4-coordinate carbon => none, is the wavefunction stable? |
| 10.14469/hpc/11143 | VAJHAP, candidate for largest angle at 4-coordinate carbon, 164 (54.5 deviant from tetrahedral), C2 |
| 10.14469/hpc/11146 | CAZFUE, candidate for smallest angle at 4-coordinate carbon, 48 |