Valence bond representations with +ve charges on adjacent atoms? An odd titanium complex analysed.
DOI: 10.14469/hpc/15774 Metadata
Created: 2026-03-08 07:51
Last modified: 2026-03-08 14:50
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/15773 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-N bond 0 1 0 3 0 -3 Total Interaction (E) : -173.636 Wiberg |
| 10.14469/hpc/15775 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-N bond 0 1 0 1 0 1 Total Interaction (E) : -89.411 |
| 10.14469/hpc/15776 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-Ti bond 0 1 -1 3 1 -3, Total Interaction (E) : -210.645 |
| 10.14469/hpc/15777 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-Ti bond 0 1 0 2 -2 Total Interaction (E) : -83.359 |
| 10.14469/hpc/15778 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-Ti bond 0 1 1 1 -1 1, Total Interaction (E) : -244.575, C5H5TiCl2(+) + C5H5N2(-) |
| 10.14469/hpc/15779 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry NEDA on N-Ti bond 0 1 0 4 -4 Total Interaction (E) : -184.526 |
| 10.14469/hpc/15771 | HOPSUA containg N(+)-N(+) formally at least Cs symmetry |