Cp2CrS5, 2+ (16e) G = -3421.611039
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Zenodo
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| Auteur principal: | Rzepa, Henry |
|---|---|
| Format: | Recurso digital |
| Publié: |
Zenodo
2026
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Documents similaires
-
Cp2CrS4, G = -3023.858803 + ⅛S8= -398.16539925 = -3,422.02420225 Def2-QZVPP NBO7
par: Rzepa, Henry
Publié: (2026) -
C2pTiS5 twist boat conformer G = -3227.124729 (-3227.141839 for chair) DG = +10.74 NBO7 NEDA TTotal Interaction (E) : -110.838
par: Rzepa, Henry
Publié: (2026) -
CYPTIS4 -2828.955733 + ⅛S8= -398.16539925) = -3,227.12113225, DG = -12.99 E2PERT = 5.0 ordered by energy
par: Rzepa, Henry
Publié: (2026) -
FULYIU, Cp2ZrS4, G = -2026.472363 + ⅛S8= -398.16539925 = -2,424.63776225 DG = -11.98 => Triplet G = -2026.437602
par: Rzepa, Henry
Publié: (2026) -
Cp2TiS6 C2 symmetry G = -3625.297894 (CYPTIS4 -2828.955733 + 2 ⅛S8= -398.16539925 = -3,625.2865315) DG = -7.13
par: Rzepa, Henry
Publié: (2026)