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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2019 | PhI-rad-neg | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -242.964613548; Eh | |||
 | 5-Feb-2019 | Ph-rad | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | 6-31+G(d,p) | -231.388259783; Eh | |||
 | 5-Feb-2019 | I13-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -783.090432082; Eh | |||
 | 5-Feb-2019 | I14-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -884.049823702; Eh | |||
 | 5-Feb-2019 | I11-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -872.449143083; Eh | |||
 | 5-Feb-2019 | I12-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -546.333606506; Eh | |||
 | 5-Feb-2019 | I16-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -794.750388488; Eh | |||
 | 5-Feb-2019 | I15-Cu | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UM06 | SDD; 6-31+G(d,p) | -557.963411864; Eh | |||
 | 13-Jul-2018 | /M06_calculations bh_c5_O2_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-311++G** | -1620.80162076; Eh | |||
 | 13-Jul-2018 | /M06_calculations bh_O2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-311++G** | -150.298142864; Eh |
Results 21-30 of 162 (Search time: 0.002 seconds).