Browsing by Author Mudarra, Ángel Luís
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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | I-nega | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD | -11.5726270541; Eh | ||
 | I1-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -822.226609320; Eh | ||
 | I1-Ag-NBO | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -822.160623223; Eh | ||
 | I1-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -811.011314609; Eh | ||
 | I1-Au-NBO | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -810.946051184; Eh | ||
 | I1-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -872.633539905; Eh | ||
 | I1-Cu-NBO | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -872.562424067; Eh | ||
 | I1-ionpair-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1086.73697061; Eh | ||
 | I11-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -872.449143083; Eh | ||
 | I12-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -546.333606506; Eh | ||
 | I12-Me | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | LANL2DZ; 6-31G(d) | -2233.91009738; Eh | ||
 | I13-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -783.090432082; Eh | ||
 | I14-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -884.049823702; Eh | ||
 | I15-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -557.963411864; Eh | ||
 | I16-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -794.750388488; Eh | ||
 | I2-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1065.07870124; Eh | ||
 | I2-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1053.87961802; Eh | ||
 | I2-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1115.49361201; Eh | ||
 | I3-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -496.146618338; Eh | ||
 | I3-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -484.916873065; Eh |