Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | NMe4 | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(d,p) | -214.093582988; Eh | ||
![]() | PhI | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -242.860981882; Eh | ||
![]() | PhCF3 | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(d,p) | -569.029781789; Eh | ||
![]() | PhI-rad-neg | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | SDD; 6-31+G(d,p) | -242.964613548; Eh | ||
![]() | Ph-rad | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | UM06 | 6-31+G(d,p) | -231.388259783; Eh | ||
![]() | DMF | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | 6-31+G(d,p) | -248.371944771; Eh | ||
![]() | I1-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -872.633539905; Eh | ||
![]() | I2-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1115.49361201; Eh | ||
![]() | I3-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -546.547210628; Eh | ||
![]() | I4-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -783.341498271; Eh | ||
![]() | I5-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1026.19976515; Eh | ||
![]() | I6-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -457.252275401; Eh | ||
![]() | I8-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.400984129; Eh | ||
![]() | I9-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.393375945; 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 | ||
![]() | 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 | ||
![]() | TS-I1-I2-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1115.46924944; Eh | ||
![]() | TS-I1-I3-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1115.42236584; Eh | ||
![]() | TS-I2-I3-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1115.48294900; Eh | ||
![]() | TS-I3-I7-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.337234136; Eh | ||
![]() | TS-I3-I8-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.389362123; Eh |
Results 1-25 of 52 (Search time: 0.06 seconds).