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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Feb-2019 | TS-I1-I2-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1065.05063153; Eh | ||||
5-Feb-2019 | I7-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD | -170.067594014; Eh | ||||
5-Feb-2019 | TS-I4-I5-Ag | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1065.05063153; Eh | ||||
5-Feb-2019 | I2-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -1053.87961802; Eh | ||||
5-Feb-2019 | I1-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -811.011314609; Eh | ||||
5-Feb-2019 | I3-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -484.916873065; Eh | ||||
5-Feb-2019 | TS-I4-I5-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -964.534511936; Eh | ||||
5-Feb-2019 | TS-I1-I2-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1053.81843075; Eh | ||||
5-Feb-2019 | I5-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -964.574648983; Eh | ||||
5-Feb-2019 | I4-Au | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -721.704192298; Eh |
Results 1-10 of 48 (Search time: 0.001 seconds).