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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Jun-2023 | pyributicarb_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39401411; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41464177; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41550124; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40380911; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF97_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39372079; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF97_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39347973; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41450105; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39394103; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41523178; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF98_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40424536; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39370318; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39356740; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41457188; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41446099; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39669041; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.39670992; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41754247; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.41688145; Eh | |||
 | 15-Dec-2022 | pyributicarb_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40584668; Eh | |||
 | 6-Jun-2023 | pyributicarb_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1357.40576053; Eh |