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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 TS_A1A2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -2368.2129758; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C1C2P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UB3LYP | - | -3240.47115297; Eh | |||
 | 3-Oct-2019 | /SPE TS_C3A9_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | - | -3239.1720327; Eh | |||
 | 3-Oct-2019 | /SPE C3P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1345738; Eh | |||
 | 3-Oct-2019 | /OPTFREQ C1P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | - | - | -3240.51254562; Eh | |||
 | 3-Oct-2019 | /SPE A5P_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5354939; Eh | |||
 | 3-Oct-2019 | /SPE TS_C1C2_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | UM06 | - | -3239.1414102; Eh | |||
 | 3-Oct-2019 | /OPTFREQ TS_C1C2 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | - | - | - | |||
 | 3-Oct-2019 | /OPTFREQ A5P | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RB3LYP | cc-pVDZ | -4655.28601484; Eh | |||
 | 3-Oct-2019 | /SPE A4_SPE | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06 | cc-pVTZ | -4653.5340543; Eh |
Results 1-10 of 44 (Search time: 0.001 seconds).