Browsing by Author Mudarra, Ángel Luís
Showing results 201 to 207 of 207
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Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | TS-I3-I8-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.389362123; Eh | ||
![]() | TS-I4-I5-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1065.05063153; Eh | ||
![]() | TS-I4-I5-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -964.534511936; Eh | ||
![]() | TS-I4-I5-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1026.18494483; Eh | ||
![]() | TS-I4-I6-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1026.12368278; Eh | ||
![]() | TS-I5-I6-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1026.19344910; Eh | ||
![]() | TS-I8-I7-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -789.394624662; Eh |