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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Jun-2019 | /SPE TS_A53AA_ENDO_A | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | - | -1531.1615251; 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 | |||
 | 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 | |||
 | 12-Jun-2019 | /SPE C1 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -3674.6030123; Eh | |||
 | 12-Jun-2019 | /SPE A4P_ENDO_B | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | cc-pVTZ | -4020.5186351; Eh |
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