Browsing by Title
Showing results 255669 to 255688 of 318333
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-May-2023 | isoxaben_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84931495; Eh | |||
 | 25-May-2023 | isoxaben_CONF152_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84367221; Eh | |||
 | 25-May-2023 | isoxaben_CONF153_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83097348; Eh | |||
 | 25-May-2023 | isoxaben_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85244445; Eh | |||
 | 25-May-2023 | isoxaben_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83056287; Eh | |||
 | 25-May-2023 | isoxaben_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85251502; Eh | |||
 | 25-May-2023 | isoxaben_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83054059; Eh | |||
 | 25-May-2023 | isoxaben_CONF156_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85256420; Eh | |||
 | 25-May-2023 | isoxaben_CONF156_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84535388; Eh | |||
 | 25-May-2023 | isoxaben_CONF157_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83005744; Eh | |||
 | 25-May-2023 | isoxaben_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85256005; Eh | |||
 | 25-May-2023 | isoxaben_CONF159_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83005332; Eh | |||
 | 25-May-2023 | isoxaben_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85315388; Eh | |||
 | 25-May-2023 | isoxaben_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84623662; Eh | |||
 | 25-May-2023 | isoxaben_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.82756997; Eh | |||
 | 25-May-2023 | isoxaben_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85064975; Eh | |||
 | 25-May-2023 | isoxaben_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84494605; Eh | |||
 | 25-May-2023 | isoxaben_CONF160_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83000736; Eh | |||
 | 25-May-2023 | isoxaben_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.85307225; Eh | |||
 | 25-May-2023 | isoxaben_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.84616853; Eh |