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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | 9a-TS6-7a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.58026045; Eh | ||
![]() | 9a-TS6-7b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.56561761; Eh | ||
![]() | 9a-Int7b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.58561868; Eh | ||
![]() | 9a-Int6 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.58726727; Eh | ||
![]() | 9a-Int7a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.59199111; Eh | ||
![]() | 9b-TS6-7b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.57804943; Eh | ||
![]() | 9b-TS6-7a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.57198018; Eh | ||
![]() | 9b-Int6 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.58346222; Eh | ||
![]() | 9b-Int7b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | 6-31G* SDD GENECP | -1448.59953985; Eh |
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