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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /SPE CATALYST_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2454.7608612; Eh | |||
 | 3-Oct-2019 | /SPE C2P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.142352; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_B1B2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -4655.20541141; Eh | |||
 | 3-Oct-2019 | /SPE TS_A7A8_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5573024; Eh | |||
 | 3-Oct-2019 | /SPE TS_A4A5P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.4993174; Eh | |||
 | 3-Oct-2019 | /SPE TS_C2C3_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1371696; Eh | |||
 | 3-Oct-2019 | /SPE TS_A4A5_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5298911; Eh | |||
 | 3-Oct-2019 | /SPE C1P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1286656; Eh | |||
 | 3-Oct-2019 | /SPE TS_B3A4_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.4897114; Eh | |||
 | 3-Oct-2019 | /SPE TS_C1C2P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.0955597; Eh |
Results 11-20 of 44 (Search time: 0.001 seconds).