Browsing by Author Escofet, Imma
Showing results 158 to 177 of 201
< previous
next >
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
H | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2855.30979102; Eh | |||
Int1a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -673.904179606; Eh | |||
Int2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1754.52088294; Eh | |||
Int3a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1754.57308100; Eh | |||
Int4a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1754.55848972; Eh | |||
Int5a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.34591021; Eh | |||
Int5b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.34800879; Eh | |||
Int6a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.34675345; Eh | |||
Int6b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.34519211; Eh | |||
Int7a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.38633291; Eh | |||
Int7b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31G* SDD GENECP | -1257.30804510; Eh | |||
J | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4400.76234066; Eh | |||
L | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -2696.82887270; Eh | |||
LAu | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -3277.27892571; Eh | |||
M | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | UBP86 | 6-31G* SDD GENECP | -3577.18336273; Eh | |||
N | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -3695.77800951; Eh | |||
P | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4347.45168055; Eh | |||
P_Int1 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -4777.10356530; Eh | |||
Q | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -6138.11473404; Eh | |||
Q_Int1 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | RBP86 | 6-31G* SDD GENECP | -6567.76446316; Eh |