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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/SPE B5PP | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -2934.5378952; Eh | |||
 | 12-Jun-2019 | /OPTFREQ TS_A4A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RB3LYP | cc-pVDZ | -4020.10393955; Eh | |||
 | 12-Jun-2019 | /SPE A4P_EXO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5244578; Eh | |||
 | 12-Jun-2019 | /SPE A5P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5601183; Eh | |||
 | 12-Jun-2019 | /SPE TS_A1A2 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.5202321; Eh | |||
 | 12-Jun-2019 | /SPE PRODUCT_4A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | - | -1185.3120056; Eh | |||
 | 3-Oct-2019 | /ACET/SPE B6 | Artigas, Albert | Gaussian; 09; AM64L-G09RevD.01 | Single point Structure | RM06L | cc-pVTZ | -1839.2051095; Eh | |||
 | 12-Jun-2019 | /SPE TS_A2A3PP_EXO | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.4255626; Eh | |||
 | 12-Jun-2019 | /SPE A4P_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5273005; Eh | |||
 | 12-Jun-2019 | /SPE TS_A2A3 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.5741056; Eh |
Results 51-60 of 312 (Search time: 0.001 seconds).