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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | mcpb_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98435874; Eh | |||
 | 8-Oct-2022 | mcpb_CONF42_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98501966; Eh | |||
 | 8-Oct-2022 | mcpb_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98314587; Eh | |||
 | 8-Oct-2022 | mcpb_CONF38_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98510819; Eh | |||
 | 8-Oct-2022 | mcpb_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98460771; Eh | |||
 | 8-Oct-2022 | mcpb_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98401515; Eh | |||
 | 8-Oct-2022 | mcpb_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98143496; Eh | |||
 | 8-Oct-2022 | mcpb_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98200044; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.64856259; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.65146396; Eh |
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