Browsing by Title
Showing results 256818 to 256837 of 318554
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Apr-2023 | lactofen_CONF212_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24019484; Eh | |||
 | 25-Apr-2023 | lactofen_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26304141; Eh | |||
 | 25-Apr-2023 | lactofen_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24340544; Eh | |||
 | 25-Apr-2023 | lactofen_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26666816; Eh | |||
 | 25-Apr-2023 | lactofen_CONF214_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24441625; Eh | |||
 | 25-Apr-2023 | lactofen_CONF214_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26591402; Eh | |||
 | 25-Apr-2023 | lactofen_CONF215_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24346574; Eh | |||
 | 25-Apr-2023 | lactofen_CONF215_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26667124; Eh | |||
 | 25-Apr-2023 | lactofen_CONF216_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24419770; Eh | |||
 | 25-Apr-2023 | lactofen_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26517622; Eh | |||
 | 25-Apr-2023 | lactofen_CONF217_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24338356; Eh | |||
 | 25-Apr-2023 | lactofen_CONF217_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26686536; Eh | |||
 | 25-Apr-2023 | lactofen_CONF218_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24352829; Eh | |||
 | 25-Apr-2023 | lactofen_CONF218_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26656730; Eh | |||
 | 25-Apr-2023 | lactofen_CONF219_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24408888; Eh | |||
 | 25-Apr-2023 | lactofen_CONF219_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26634092; Eh | |||
 | 25-Apr-2023 | lactofen_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24392518; Eh | |||
 | 25-Apr-2023 | lactofen_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26600228; Eh | |||
 | 25-Apr-2023 | lactofen_CONF220_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.24407795; Eh | |||
 | 25-Apr-2023 | lactofen_CONF220_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2074.26692718; Eh |