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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | 24-TS1_2 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.28834677; Eh | ||
![]() | 24-TS3_2 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.29900272; Eh | ||
![]() | 24-TS1_3 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.28460928; Eh | ||
![]() | 24-Int2 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.30573929; Eh | ||
![]() | 24-Int3 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.30322281; Eh | ||
![]() | 24-Int1 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1179.30316221; Eh | ||
![]() | 32-TS3a-2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.78909454; Eh | ||
![]() | 32-TS1-2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.78435382; Eh | ||
![]() | 32-TS1-3a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.78135974; Eh | ||
![]() | 32-Int3a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.79641003; Eh | ||
![]() | 32-Int2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.81621241; Eh | ||
![]() | 32-Int1 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.79016818; Eh | ||
![]() | 32-TS1-3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.78034047; Eh | ||
![]() | 32-TS3b-2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.79723704; Eh | ||
![]() | 32-TS1-2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.78286990; Eh | ||
![]() | 32-Int3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.79937715; Eh | ||
![]() | 32-Int2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -1560.80195382; Eh |
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