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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-I3-I7-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -789.337234136; Eh | |||
 | 5-Feb-2019 | TS-I3-I8-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -789.389362123; Eh | |||
 | 5-Feb-2019 | TS-I1-I3-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1115.42236584; Eh | |||
 | 5-Feb-2019 | TS-I2-I3-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1115.48294900; Eh | |||
 | 5-Feb-2019 | TS-I1-I2-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1115.46924944; Eh | |||
 | 5-Feb-2019 | I3-ionpair-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -760.651402155; Eh | |||
 | 5-Feb-2019 | I7-ionpair-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -434.565963574; Eh | |||
 | 5-Feb-2019 | I1-ionpair-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | SDD; 6-31+G(d,p) | -1086.73697061; Eh | |||
 | 5-Feb-2019 | TS-I5-I6-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1026.19344910; Eh | |||
 | 5-Feb-2019 | TS-I4-I5-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1026.18494483; Eh |
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