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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Oct-2019 | /C60ACET/OPTFREQ C6_56 | Artigas, Albert | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | cc-pVDZ | -4048.17080257; Eh | |||
 | 3-Oct-2019 | /C60ACET/SPE B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -4048.3915702; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B6B7 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.20243; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4PA5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RB3LYP | cc-pVDZ | -4020.16364419; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3PPA4P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5277898; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4PA5P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5206297; Eh | |||
 | 12-Jun-2019 | /SPE TS_A4A5P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4625117; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3A4P_EXO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4308984; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3PPA4P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5075446; Eh | |||
 | 12-Jun-2019 | /SPE TS_A3A4P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4296763; Eh |
Results 11-20 of 525 (Search time: 0.001 seconds).