Browsing by Author Escofet, Imma
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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
B | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4539.32464522; Eh | |||
B'' | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4074.75910826; Eh | |||
B-Int1b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4167.38134937; Eh | |||
B-Int1b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2826.44904003; Eh | |||
B-Int1d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4167.37466010; Eh | |||
B-Int1d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2826.45719538; Eh | |||
B-Int2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4167.37236583; Eh | |||
B-Int2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2826.44782475; Eh | |||
B-Int2d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4167.38367926; Eh | |||
B-Int2d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2826.46322434; Eh | |||
B-Int3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4241.19177511; Eh | |||
B-Int3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2588.12444553; Eh | |||
B-Int3d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4241.19076567; Eh | |||
B-Int3d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2588.12777707; Eh | |||
B-Int4b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4241.21208077; Eh | |||
B-Int4b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2588.13414469; Eh | |||
B-Int4d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4241.21640352; Eh | |||
B-Int4d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2588.13750216; Eh | |||
B-Int5b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -5296.36799115; Eh | |||
B-Int5d | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -5296.36824168; Eh |