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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2018 | a_6_freq | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g(d) | -1400.49431067; Eh | |||
 | 15-Oct-2018 | a_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1400.49389568; Eh | |||
 | 15-Oct-2018 | a_6_ | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1400.49431067; Eh | |||
 | 15-Oct-2018 | 4_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.24414934; Eh | |||
 | 15-Oct-2018 | TS2_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20918379; Eh | |||
 | 15-Oct-2018 | TS2_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.20939174; Eh | |||
 | 15-Oct-2018 | TS2_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.21427230; Eh | |||
 | 15-Oct-2018 | 4_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.24311850; Eh | |||
 | 15-Oct-2018 | a_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1400.48477762; Eh | |||
 | 15-Oct-2018 | 2_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.20312677; Eh |
Results 231-240 of 244 (Search time: 0.002 seconds).