New neutral nitrogen allotrope
DOI: 10.14469/hpc/15660 Metadata
Created: 2026-01-06 10:46
Last modified: 2026-01-28 09:16
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Portal project
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/15661 | N6 NEDA 0 1 0 2 0 -2 Bond 3-4 E = -41.222 |
| 10.14469/hpc/15662 | N8 NEDA 0 1 0 2 0 -2 Total Interaction (E) : -45.831 |
| 10.14469/hpc/15663 | N6 NEDA 0 1 0 4 0 -4 Bond 3-4 Quartet Total Interaction (E) : -250.206 |
| 10.14469/hpc/15664 | N6 NEDA 0 1 0 2 0 -2 Bond 1-2 Total Interaction (E) : -168.363 |
| 10.14469/hpc/15665 | N6 NEDA 0 1 0 3 0 -3 Bond 2-3 Total Interaction (E) : -168.301 |
| 10.14469/hpc/15309 | N10 C3, wB97XD/Def2-QZVPP inverted G = -547.217287 |
| 10.14469/hpc/15308 | N10 C3, wB97XD/Def2-QZVPP, G = -547.231041 (-547.755825, DG = _329.3 or +65.8 per N2) |
| 10.14469/hpc/15642 | N8 (N2, wB97XD/Def2-QZVPP G - -437.811077 (4 G = -109.551165 = -438.20466) or 61.7 per N2 |
| 10.14469/hpc/15304 | N6 wB97XD/Def2-QZVPP G = -328.355823 (-328.653495, DG = -186.8) |
| 10.14469/hpc/15305 | N2, wB97XD/Def2-QZVPP G = -109.551165 5G = -547.755825 |
| 10.14469/hpc/15666 | N10 NEDA NEDA 0 1 0 2 0 -2 Total Interaction (E) : -37.771 |
| 10.14469/hpc/15643 | N12, C3v G = -656.612855 (6N2 = -657.30699) DG 72.6 |
| 10.14469/hpc/15646 | N12, Cs -656.617560 (6N2 = -657.30699) |