Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | mecoprop_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.65888073; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.28869566; Eh | |||
 | 8-Oct-2022 | picloram_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1871.11395985; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66067968; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66071413; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.29304999; Eh | |||
 | 8-Oct-2022 | triclopyr_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1930.27580136; Eh | |||
 | 8-Oct-2022 | quinmerac_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1089.48970876; Eh | |||
 | 8-Oct-2022 | picloram_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1871.11620970; Eh | |||
 | 8-Oct-2022 | picloram_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1871.09722602; Eh |
Results 11-20 of 693 (Search time: 0.0 seconds).
Discover
Calculation type