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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-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 | 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 | |||
 | 5-Feb-2019 | TS-I4-I6-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -1026.12368278; Eh | |||
 | 5-Feb-2019 | TS-I8-I7-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | SDD; 6-31+G(d,p) | -789.394624662; Eh | |||
 | 21-Jun-2018 | /THF_solvent Bc-Ligand_THF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31G(d) | -1112.00383035; Eh | |||
 | 21-Jun-2018 | /THF_solvent 4a_dimer_THF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | SDD; 6-31G(d) | -3193.24057977; Eh | |||
 | 21-Jun-2018 | /DMF_solvent 4a_dimer_DMF | Mudarra, Ángel Luís; Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | SDD; 6-31G(d) | -3193.24580396; Eh |
Results 31-38 of 38 (Search time: 0.002 seconds).