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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | I1_55_SOS | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2785.24144297; Eh | |||
 | 3-Oct-2019 | C68_TRIPLET | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | UB3LYP | - | -2591.11753126; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C2C3 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | - | -3240.51321170; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C1C2P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | - | -3240.47115297; Eh | |||
 | 3-Oct-2019 | /OPTFREQ C3P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -3240.50181365; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C2C3P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | UB3LYP | - | -3240.49682731; Eh | |||
 | 3-Oct-2019 | /OPTFREQ C2P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -3240.51908980; Eh | |||
 | 3-Oct-2019 | /OPTFREQ C2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | - | -3240.51974548; Eh |
Results 31-38 of 38 (Search time: 0.0 seconds).