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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2022 | spiroxamine_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29760661; Eh | |||
 | 17-Jan-2023 | prosulfocarb_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1074.41122134; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85476256; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85664938; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85450950; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85021730; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF103_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85082523; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85093549; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85079098; Eh | |||
 | 9-Feb-2023 | ethaboxam_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1633.85034642; Eh |
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