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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2018 | TS1_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.21326371; Eh | |||
 | 15-Oct-2018 | TS1_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-31+g(d) | -1362.21949570; Eh | |||
 | 15-Oct-2018 | a_TD | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UCAM-B3LYP; TD-FC | 6-31+g(d) | -1399.62671334; Eh | |||
 | 15-Oct-2018 | TS1_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | 6-31+g(d) | -1362.23116256; Eh | |||
 | 15-Oct-2018 | 1_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1211.85033831; Eh | |||
 | 15-Oct-2018 | 3_4 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.25083205; Eh | |||
 | 15-Oct-2018 | 2_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.26046517; Eh | |||
 | 15-Oct-2018 | 4_6 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.24239083; Eh | |||
 | 15-Oct-2018 | 2_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1362.24805681; Eh | |||
 | 15-Oct-2018 | 1_2 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31+g(d) | -1211.85108023; Eh |
Results 221-230 of 244 (Search time: 0.002 seconds).