CH...O hydrogen bonding competing with dispersion attractions.
DOI: 10.14469/hpc/5943 Metadata
Created: 2019-07-19 10:33
Last modified: 2019-07-19 10:35
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/5939 | XEVJIR, CH...O short interaction B3LYP+GD3BJ G=-2247.725598 |
| 10.14469/hpc/5942 | XEVJIR, CH...O short interaction B3LYP+GD3BJ packed |
| 10.14469/hpc/5940 | XEVJIR, CH...O short interaction wB97XD G=-2247.111252 |