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Item hits:
| 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 | ||
 | 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 | ||
 | 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 | ||
 | I7-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD | -170.067594014; Eh | ||
 | TS-I1-I2-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1065.05063153; Eh | ||
 | TS-I4-I5-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1065.05063153; Eh | ||
 | TS-I1-I2-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -1053.81843075; Eh | ||
 | TS-I4-I5-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | RM06 | SDD; 6-31+G(d,p) | -964.534511936; Eh |
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